A0A3Q0KRR6_SCHMA Loading...

Nucleoside-diphosphate kinase

AlphaFold DB , UniProt , Accession A0A3Q0KRR6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 798 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
1M32.3Very low65.3Low241 Ų24195 Ų95100%1.18748%0.48SS*.  0109.10-76168.268.500105.5E3M1-E3 PolarHBondContact O-N 3.4Å
2V33.5Very low67.3Low144 Ų14487.3 Ų87.387%0.87344%0.441SS*.  trans-72.6111.8175.5-1780000104.8A4V2-A4 PolarHBondContact O-N 2.88Å
3E38Very low68.7Low180 Ų18083.2 Ų83.284%0.84142%0.421SS*.  trans-53.2111.9167.1-95.7173.4151.300106.4M1 E5M1-E3 PolarHBondContact O-N 3.4Å; E3-E5 PolarHBondContact O-N 3.22Å
4A45.4Very low69.9Low64 Ų6477.2 Ų77.253%0.52939%0.391SS..  trans-60.5112.7175.600000106.7V2 R6 Q57V2-A4 PolarHBondContact O-N 2.88Å; A4-R6 PolarHBondContact O-N 3.15Å; A4-Q57 PolarHBondContact O-NE2 3.28Å; A4-Q57 VanDerWaalsContact O-NE2 3.08Å
5E54.8Low70.9Confident187 Ų18775.9 Ų75.987%0.87439%0.386SS*.  trans-50.3111.8-170.6-76.6176153.800109.9E3E3-E5 PolarHBondContact O-N 3.22Å
6R67.7Low71.9Confident147 Ų14774.3 Ų74.356%0.55538%0.375SS*.PPolyproline II helixtrans-68.8133.2172.7-66.2-177.5-177.9179.3-2.1108A4 K8A4-R6 PolarHBondContact O-N 3.15Å; R6-K8 PolarHBondContact O-N 2.91Å; R6-K8 VanDerWaalsContact O-N 3.14Å
7S81.5Confident72.8Confident24 Ų2472.1 Ų72.117%0.16836%0.362CS..PPolyproline II helixtrans-52.6119.5169.2-71.30000109.8S60S7-S60 PolarHBondContact O-N 3.39Å
8K88.8Confident73.7Confident56 Ų5668.3 Ų68.324%0.24334%0.343CS..EExtended strand (participates in β ladder)trans-91.1124.7-178.7-63.4-175.7178.5173.60110R6 S60 Y62 E94 C95 D96 Y97R6-K8 PolarHBondContact O-N 2.91Å; R6-K8 VanDerWaalsContact O-N 3.14Å; K8-S60 WeakPolarHBondContact CA-O 3.46Å; K8-Y62 HydrophobicContact CB-CD2 4.23Å; K8-Y62 HydrophobicContact CB-CE2 3.92Å; K8-Y62 HydrophobicContact CD-CE2 3.88Å; K8-Y62 HydrophobicContact CG-CE2 3.76Å; K8-E94 IonicContact NZ-OE2 3.45Å; K8-E94 PolarHBondContact NZ-OE2 3.37Å; K8-C95 HydrophobicContact CB-CB 4.26Å; K8-D96 PolarHBondContact O-N 3.27Å; K8-Y97 PolarHBondContact O-N 3.49Å
9V91.5Very high74.6Confident0 Ų065.1 Ų65.10%033%0.327CS..EExtended strand (participates in β ladder)trans-116127.7178.9-174.10000108.9I11 L26 Y59 S60 V61 Y62 Y97 I99 M249V9-I11 HydrophobicContact CG1-CG1 4.15Å; V9-L26 HydrophobicContact CG1-CD1 4.26Å; V9-Y59 HydrophobicContact CG2-CD1 3.57Å; V9-Y59 HydrophobicContact CG2-CE1 4.37Å; V9-Y59 HydrophobicContact CG2-CG 4.11Å; V9-S60 PolarHBondContact N-O 3.39Å; V9-V61 CarbonylContact O-C 3.6Å; V9-V61 WeakPolarHBondContact O-CA 3.48Å; V9-Y62 PolarHBondContact O-N 3.33Å; V9-Y97 CarbonylContact C-O 3.58Å; V9-Y97 WeakPolarHBondContact CA-O 3.38Å; V9-Y97 HydrophobicContact CG2-CD2 4Å; V9-Y97 HydrophobicContact CG2-CG 4.44Å; V9-I99 HydrophobicContact CG1-CD1 3.8Å; V9-I99 HydrophobicContact CG1-CG1 4.27Å; V9-M249 HydrophobicContact CG2-CE 3.71Å
10F93Very high75.4Confident0 Ų063.7 Ų63.70%032%0.322CS..EExtended strand (participates in β ladder)trans-100.6132.7171.8175.8-95.2000110.5A12 Y62 T64 I79 Y88 I92 C95 Y97 I98 I99 Y100F10-A12 HydrophobicContact CE1-CB 4.09Å; F10-A12 HydrophobicContact CZ-CB 4.36Å; F10-Y62 CarbonylContact C-O 3.46Å; F10-Y62 VanDerWaalsContact CA-O 3.31Å; F10-Y62 WeakPolarHBondContact CA-O 3.48Å; F10-T64 HydrophobicContact CE2-CG2 4.07Å; F10-T64 HydrophobicContact CZ-CG2 3.94Å; F10-I79 HydrophobicContact CD2-CD1 3.9Å; F10-I79 HydrophobicContact CE2-CD1 4Å; F10-Y88 HydrophobicContact CZ-CE2 4.38Å; F10-I92 HydrophobicContact CD1-CD1 4.44Å; F10-I92 HydrophobicContact CD1-CG1 4.38Å; F10-I92 HydrophobicContact CD1-CG2 4.49Å; F10-I92 HydrophobicContact CD2-CD1 4.39Å; F10-I92 HydrophobicContact CD2-CG1 3.83Å; F10-I92 HydrophobicContact CE1-CD1 3.91Å; F10-I92 HydrophobicContact CE1-CG1 4.28Å; F10-I92 HydrophobicContact CE2-CD1 3.85Å; F10-I92 HydrophobicContact CE2-CG1 3.71Å; F10-I92 HydrophobicContact CG-CG1 4.15Å; F10-I92 HydrophobicContact CZ-CD1 3.57Å; F10-I92 HydrophobicContact CZ-CG1 3.94Å; F10-C95 HydrophobicContact CB-CB 3.93Å; F10-Y97 PolarHBondContact N-O 3.15Å; F10-I98 HydrophobicContact CB-CG1 4.47Å; F10-I98 HydrophobicContact CD1-CG2 3.97Å; F10-I99 PolarHBondContact O-N 3.05Å; F10-Y100 HydrophobicContact CD1-CE2 4.31Å; F10-Y100 AromaticContact CE1-CE2 3.9Å; F10-Y100 HydrophobicContact CE1-CE2 3.9Å; F10-Y100 AromaticContact CE1-CZ 3.74Å; F10-Y100 WeakPolarHBondContact CE1-OH 3.45Å
11I92.1Very high76.1Confident2 Ų261.2 Ų61.21%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-129.6124.3173.7-49.8-176.3000108.7V9 V14 E19 I22 A23 L26 V61 Y62 G63 T64 I99V9-I11 HydrophobicContact CG1-CG1 4.15Å; I11-V14 HydrophobicContact CB-CG2 4.01Å; I11-V14 HydrophobicContact CG2-CG2 4.24Å; I11-V14 WeakPolarHBondContact O-CG2 3.49Å; I11-E19 HydrophobicContact CG2-CB 3.99Å; I11-E19 HydrophobicContact CG2-CG 4.27Å; I11-I22 HydrophobicContact CD1-CG2 4Å; I11-A23 HydrophobicContact CD1-CB 3.98Å; I11-L26 HydrophobicContact CD1-CD1 3.95Å; I11-V61 HydrophobicContact CD1-CG1 4.04Å; I11-V61 HydrophobicContact CG1-CG1 4.27Å; I11-Y62 PolarHBondContact N-O 2.9Å; I11-G63 WeakPolarHBondContact O-CA 3.31Å; I11-T64 PolarHBondContact O-N 3.07Å; I11-I99 WeakPolarHBondContact CA-O 3.22Å; I11-I99 HydrophobicContact CG1-CB 4.3Å; I11-I99 HydrophobicContact CG1-CD1 4.39Å
12A88.9Confident78.9Confident2 Ų249.9 Ų49.92%0.01725%0.254CS..SBendtrans-74.1144.1175.600000111.6F10 E19 T64 I99 Y100F10-A12 HydrophobicContact CE1-CB 4.09Å; F10-A12 HydrophobicContact CZ-CB 4.36Å; A12-E19 WeakPolarHBondContact O-CG 3.26Å; A12-T64 WeakPolarHBondContact CA-OG1 3.42Å; A12-I99 PolarHBondContact N-O 3.2Å; A12-Y100 HydrophobicContact CB-CD1 3.63Å; A12-Y100 HydrophobicContact CB-CE1 3.45Å; A12-Y100 VanDerWaalsContact CB-CE1 3.45Å; A12-Y100 HydrophobicContact CB-CG 4.4Å
13N85.7Confident81.6Confident34 Ų3443 Ų4318%0.18221%0.213CC..  trans55.256.4170.4-5918.7000114.2D15 K16 E19 T64N13-D15 WeakPolarHBondContact CA-OD1 3.34Å; N13-D15 PolarHBondContact O-N 3.05Å; N13-K16 HydrophobicContact CB-CD 4.04Å; N13-K16 HydrophobicContact CB-CG 4.29Å; N13-K16 WeakPolarHBondContact O-CB 3.27Å; N13-K16 PolarHBondContact O-N 3.31Å; N13-E19 WeakPolarHBondContact O-CB 3.25Å; N13-T64 CarbonylContact C-O 3.53Å; N13-T64 VanDerWaalsContact CA-O 3.26Å; N13-T64 WeakPolarHBondContact CA-O 3.24Å; N13-T64 PolarHBondContact N-O 3Å; N13-T64 PolarHBondContact N-OG1 3.07Å; N13-T64 PolarHBondContact OD1-OG1 2.84Å
14V85.8Confident84.1Confident0 Ų037.5 Ų37.50%019%0.186CC..THydrogen-bonded Turntrans-71.40.2-176.5-162.60000113.1I11 C20 A23 T64 P73 V76I11-V14 HydrophobicContact CB-CG2 4.01Å; I11-V14 HydrophobicContact CG2-CG2 4.24Å; I11-V14 WeakPolarHBondContact O-CG2 3.49Å; V14-C20 WeakPolarHBondContact O-CA 3.19Å; V14-C20 WeakPolarHBondContact O-CB 3.29Å; V14-A23 HydrophobicContact CG1-CB 3.47Å; V14-A23 VanDerWaalsContact CG1-CB 3.47Å; V14-T64 PolarHBondContact N-O 2.98Å; V14-P73 HydrophobicContact CG1-CG 4.08Å; V14-V76 HydrophobicContact CG1-CG2 3.95Å; V14-V76 HydrophobicContact CG2-CG1 4.39Å
15D84.1Confident86.1Confident57 Ų5734.9 Ų34.931%0.30516%0.163SC..THydrogen-bonded Turntrans-75.8-23.4166.558.2-64.1000113.1N13 V65 D66 C69N13-D15 WeakPolarHBondContact CA-OD1 3.34Å; N13-D15 PolarHBondContact O-N 3.05Å; D15-V65 HydrophobicContact CB-CG1 4.08Å; D15-V65 HydrophobicContact CB-CG2 4.48Å; D15-D66 PolarHBondContact OD1-N 3.18Å; D15-C69 HydrophobicContact CB-CB 4.35Å
16K86.6Confident87.7Confident51 Ų5126 Ų2622%0.22212%0.121CC..SBendtrans-78.2158.3177.9-67.9-178.1177.71780111.9N13 E19 C20 D105N13-K16 HydrophobicContact CB-CD 4.04Å; N13-K16 HydrophobicContact CB-CG 4.29Å; N13-K16 WeakPolarHBondContact O-CB 3.27Å; N13-K16 PolarHBondContact O-N 3.31Å; K16-E19 WeakPolarHBondContact CB-OE2 3.21Å; K16-C20 WeakPolarHBondContact O-CB 3.41Å; K16-C20 PolarHBondContact O-N 2.98Å; K16-D105 VanDerWaalsContact NZ-CB 3.27Å; K16-D105 IonicContact NZ-OD2 3.44Å; K16-D105 PolarHBondContact NZ-OD2 3.38Å
17Y87.3Confident88.5Confident37 Ų3720.3 Ų20.315%0.14510%0.104CC..Hα-helixtrans-63.6-50.7-168161.8-93.6000114.1N21 G203 K205 N207 L238Y17-N21 WeakPolarHBondContact CD2-ND2 3.38Å; Y17-N21 VanDerWaalsContact CE2-ND2 3.34Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.17Å; Y17-N21 PolarHBondContact O-N 3.42Å; Y17-N21 PolarHBondContact O-ND2 3.18Å; Y17-G203 PolarHBondContact OH-O 3.09Å; Y17-K205 HydrophobicContact CD2-CB 4.08Å; Y17-K205 HydrophobicContact CE2-CB 3.97Å; Y17-N207 HydrophobicContact CD1-CB 3.47Å; Y17-N207 VanDerWaalsContact CD1-CB 3.47Å; Y17-N207 HydrophobicContact CE1-CB 3.51Å; Y17-N207 HydrophobicContact CG-CB 4.08Å; Y17-L238 HydrophobicContact CD1-CD1 4.49Å; Y17-L238 HydrophobicContact CE1-CD1 3.65Å; Y17-L238 HydrophobicContact CE1-CG 4.39Å; Y17-L238 HydrophobicContact CE2-CD1 4.02Å; Y17-L238 VanDerWaalsContact OH-CD1 3.26Å; Y17-L238 WeakPolarHBondContact OH-CD1 3.47Å
18D89.9Confident88.7Confident3 Ų324.8 Ų24.82%0.01612%0.122CC..Hα-helixtrans-66.2-45.7-176-72.7-23.5000108.7N21 I22 N101 K103 T201 L238D18-N21 PolarHBondContact O-N 3.08Å; D18-I22 HydrophobicContact CB-CD1 4.46Å; D18-I22 WeakPolarHBondContact O-CB 3.19Å; D18-I22 WeakPolarHBondContact O-CD1 3.33Å; D18-I22 WeakPolarHBondContact O-CG1 3.22Å; D18-I22 PolarHBondContact O-N 2.94Å; D18-N101 WeakPolarHBondContact CB-ND2 3.38Å; D18-K103 IonicContact OD2-NZ 2.68Å; D18-K103 PolarHBondContact OD2-NZ 2.88Å; D18-T201 WeakPolarHBondContact OD1-CB 3.41Å; D18-T201 PolarHBondContact OD1-OG1 3.14Å; D18-T201 PolarHBondContact OD2-OG1 2.71Å; D18-L238 HydrophobicContact CB-CD2 4.31Å
19E90.9Very high88.4Confident8 Ų823.6 Ų23.64%0.03712%0.118CC..Hα-helixtrans-66.9-43.6-175.1-59.786.4166.600112.1I11 A12 N13 K16 N21 A23 N101I11-E19 HydrophobicContact CG2-CB 3.99Å; I11-E19 HydrophobicContact CG2-CG 4.27Å; A12-E19 WeakPolarHBondContact O-CG 3.26Å; N13-E19 WeakPolarHBondContact O-CB 3.25Å; K16-E19 WeakPolarHBondContact CB-OE2 3.21Å; E19-N21 VanDerWaalsContact C-N 3.35Å; E19-N21 PolarHBondContact O-N 3.21Å; E19-A23 WeakPolarHBondContact O-CB 3.42Å; E19-A23 PolarHBondContact O-N 3.47Å; E19-N101 HydrophobicContact CG-CB 3.96Å; E19-N101 VanDerWaalsContact OE1-CB 3.28Å; E19-N101 WeakPolarHBondContact OE1-CB 3.36Å; E19-N101 PolarHBondContact OE1-ND2 3.16Å
20C89.5Confident87.7Confident36 Ų3626.3 Ų26.324%0.24314%0.135CC..Hα-helixtrans-60.1-45.2175.9-167.70000111.6V14 K16 K24V14-C20 WeakPolarHBondContact O-CA 3.19Å; V14-C20 WeakPolarHBondContact O-CB 3.29Å; K16-C20 WeakPolarHBondContact O-CB 3.41Å; K16-C20 PolarHBondContact O-N 2.98Å; C20-K24 WeakPolarHBondContact O-CB 3.48Å; C20-K24 PolarHBondContact O-N 2.97Å
21N90Very high86.8Confident13 Ų1328.4 Ų28.47%0.0715%0.146CC..Hα-helixtrans-73.2-41.1-178.6-70-44.9000111.7Y17 D18 E19 A23 K24 F25 L238Y17-N21 WeakPolarHBondContact CD2-ND2 3.38Å; Y17-N21 VanDerWaalsContact CE2-ND2 3.34Å; Y17-N21 WeakPolarHBondContact CE2-ND2 3.17Å; Y17-N21 PolarHBondContact O-N 3.42Å; Y17-N21 PolarHBondContact O-ND2 3.18Å; D18-N21 PolarHBondContact O-N 3.08Å; E19-N21 VanDerWaalsContact C-N 3.35Å; E19-N21 PolarHBondContact O-N 3.21Å; N21-A23 VanDerWaalsContact C-N 3.32Å; N21-A23 PolarHBondContact O-N 2.7Å; N21-K24 WeakPolarHBondContact O-CB 3.21Å; N21-K24 PolarHBondContact O-N 3.27Å; N21-F25 HydrophobicContact CB-CE2 4.09Å; N21-F25 WeakPolarHBondContact O-CD2 3.35Å; N21-F25 VanDerWaalsContact O-CG 3.31Å; N21-F25 WeakPolarHBondContact O-CG 3.28Å; N21-F25 PolarHBondContact O-N 2.91Å; N21-L238 HydrophobicContact CB-CD1 3.74Å; N21-L238 WeakPolarHBondContact ND2-CD1 3.45Å
22I91.7Very high85.6Confident2 Ų229 Ų291%0.0115%0.153CC..Hα-helixtrans-59.5-45.1173.2-68.4163.2000110I11 D18 K24 F25 L26 I135 L241 L245I11-I22 HydrophobicContact CD1-CG2 4Å; D18-I22 HydrophobicContact CB-CD1 4.46Å; D18-I22 WeakPolarHBondContact O-CB 3.19Å; D18-I22 WeakPolarHBondContact O-CD1 3.33Å; D18-I22 WeakPolarHBondContact O-CG1 3.22Å; D18-I22 PolarHBondContact O-N 2.94Å; I22-K24 PolarHBondContact O-N 3.23Å; I22-F25 PolarHBondContact O-N 3.49Å; I22-L26 HydrophobicContact CG2-CD1 3.71Å; I22-L26 HydrophobicContact CG2-CG 4.23Å; I22-L26 WeakPolarHBondContact O-CB 3.3Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 2.96Å; I22-I135 HydrophobicContact CD1-CD1 3.93Å; I22-L241 HydrophobicContact CD1-CD2 4.22Å; I22-L245 HydrophobicContact CD1-CD1 4.14Å; I22-L245 HydrophobicContact CG1-CD1 4.37Å; I22-L245 HydrophobicContact CG2-CD1 3.75Å
23A90.7Very high84.6Confident0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-59.2-45.1175.800000112.1I11 V14 E19 N21 S27 V61 F75 V76I11-A23 HydrophobicContact CD1-CB 3.98Å; V14-A23 HydrophobicContact CG1-CB 3.47Å; V14-A23 VanDerWaalsContact CG1-CB 3.47Å; E19-A23 WeakPolarHBondContact O-CB 3.42Å; E19-A23 PolarHBondContact O-N 3.47Å; N21-A23 VanDerWaalsContact C-N 3.32Å; N21-A23 PolarHBondContact O-N 2.7Å; A23-S27 WeakPolarHBondContact O-CB 3.42Å; A23-S27 PolarHBondContact O-N 2.9Å; A23-V61 HydrophobicContact CB-CG1 3.91Å; A23-F75 HydrophobicContact CB-CE2 3.98Å; A23-V76 HydrophobicContact CB-CG2 4.11Å
24K89.2Confident83.4Confident64 Ų6434 Ų3428%0.27817%0.171SC..Hα-helixtrans-59.4-51.5177.5-178.7-172.4172.7-164.80110.7C20 N21 I22 S27 Q28 F75 E204C20-K24 WeakPolarHBondContact O-CB 3.48Å; C20-K24 PolarHBondContact O-N 2.97Å; N21-K24 WeakPolarHBondContact O-CB 3.21Å; N21-K24 PolarHBondContact O-N 3.27Å; I22-K24 PolarHBondContact O-N 3.23Å; K24-S27 PolarHBondContact O-N 3.03Å; K24-S27 PolarHBondContact O-OG 3.14Å; K24-Q28 WeakPolarHBondContact O-CG 3.08Å; K24-Q28 PolarHBondContact O-N 3.17Å; K24-F75 HydrophobicContact CB-CE1 4.47Å; K24-F75 HydrophobicContact CB-CE2 3.88Å; K24-F75 HydrophobicContact CB-CZ 3.75Å; K24-F75 HydrophobicContact CG-CZ 4.36Å; K24-E204 IonicContact NZ-OE1 2.78Å; K24-E204 IonicContact NZ-OE2 3.24Å
25F88.2Confident81.9Confident9 Ų938 Ų384%0.03920%0.199CC..Hα-helixtrans-66.5-43-178.6-63.2-39.8000112.1N21 I22 S27 Q28 L29 E204 L238 R239 T242N21-F25 HydrophobicContact CB-CE2 4.09Å; N21-F25 WeakPolarHBondContact O-CD2 3.35Å; N21-F25 VanDerWaalsContact O-CG 3.31Å; N21-F25 WeakPolarHBondContact O-CG 3.28Å; N21-F25 PolarHBondContact O-N 2.91Å; I22-F25 PolarHBondContact O-N 3.49Å; F25-S27 VanDerWaalsContact C-N 3.28Å; F25-S27 PolarHBondContact O-N 3.46Å; F25-Q28 PolarHBondContact O-N 3.34Å; F25-L29 VanDerWaalsContact O-CG 3.31Å; F25-L29 WeakPolarHBondContact O-CG 3.09Å; F25-L29 PolarHBondContact O-N 2.65Å; F25-L29 VanDerWaalsContact O-N 3.09Å; F25-E204 HydrophobicContact CE2-CG 4.48Å; F25-E204 HydrophobicContact CZ-CG 3.82Å; F25-E204 WeakPolarHBondContact CZ-OE1 3.44Å; F25-L238 HydrophobicContact CE2-CB 4.03Å; F25-R239 HydrophobicContact CD1-CG 4.29Å; F25-R239 HydrophobicContact CD2-CG 4.02Å; F25-R239 HydrophobicContact CE1-CG 3.89Å; F25-R239 HydrophobicContact CE2-CG 3.58Å; F25-R239 HydrophobicContact CG-CG 4.36Å; F25-R239 HydrophobicContact CZ-CG 3.52Å; F25-T242 HydrophobicContact CB-CG2 3.79Å
26L88.6Confident80.4Confident0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-60.8-35.5175.3-73.7173.9000112.9V9 I11 I22 Q28 L29 V61 I99 T242V9-L26 HydrophobicContact CG1-CD1 4.26Å; I11-L26 HydrophobicContact CD1-CD1 3.95Å; I22-L26 HydrophobicContact CG2-CD1 3.71Å; I22-L26 HydrophobicContact CG2-CG 4.23Å; I22-L26 WeakPolarHBondContact O-CB 3.3Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.33Å; I22-L26 PolarHBondContact O-N 2.96Å; L26-Q28 PolarHBondContact O-N 3.14Å; L26-L29 HydrophobicContact CD2-CD1 4.15Å; L26-L29 PolarHBondContact O-N 2.64Å; L26-V61 HydrophobicContact CB-CG2 4.31Å; L26-I99 HydrophobicContact CD1-CD1 4.09Å; L26-T242 HydrophobicContact CD2-CG2 3.71Å; L26-T242 HydrophobicContact CG-CG2 3.68Å
27S85.5Confident78.5Confident29 Ų2941 Ų4120%0.20322%0.217CC..Hα-helixtrans-65.6-24.2176.977.70000113.5A23 K24 F25 T58A23-S27 WeakPolarHBondContact O-CB 3.42Å; A23-S27 PolarHBondContact O-N 2.9Å; K24-S27 PolarHBondContact O-N 3.03Å; K24-S27 PolarHBondContact O-OG 3.14Å; F25-S27 VanDerWaalsContact C-N 3.28Å; F25-S27 PolarHBondContact O-N 3.46Å; S27-T58 WeakPolarHBondContact O-CB 3.4Å
28Q84.4Confident76.3Confident117 Ų11747.2 Ų47.255%0.54725%0.248SC..Hα-helixtrans-92.5-21.5179.4-65.7174.3-1900112.6K24 F25 L26K24-Q28 WeakPolarHBondContact O-CG 3.08Å; K24-Q28 PolarHBondContact O-N 3.17Å; F25-Q28 PolarHBondContact O-N 3.34Å; L26-Q28 PolarHBondContact O-N 3.14Å
29L82.4Confident74Confident31 Ų3152.7 Ų52.716%0.16228%0.277CS..SBendtrans-75.3137.8-177.4-73.5166.4000112.3F25 L26 Y59 T242F25-L29 VanDerWaalsContact O-CG 3.31Å; F25-L29 WeakPolarHBondContact O-CG 3.09Å; F25-L29 PolarHBondContact O-N 2.65Å; F25-L29 VanDerWaalsContact O-N 3.09Å; L26-L29 HydrophobicContact CD2-CD1 4.15Å; L26-L29 PolarHBondContact O-N 2.64Å; L29-Y59 HydrophobicContact CB-CD2 4.5Å; L29-T242 HydrophobicContact CD1-CG2 3.81Å
30V77.5Confident71.8Confident57 Ų5757.8 Ų57.835%0.34530%0.301SS..BIsolated β-bridgetrans-85.3130.7176.4-178.30000109.9G32 P56 Q246V30-G32 PolarHBondContact O-N 3.16Å; V30-P56 HydrophobicContact CB-CB 4.37Å; V30-P56 HydrophobicContact CG1-CB 3.63Å; V30-P56 HydrophobicContact CG2-CB 3.8Å; V30-P56 HydrophobicContact CG2-CG 4.4Å; V30-Q246 PolarHBondContact O-NE2 2.76Å; V30-Q246 VanDerWaalsContact O-NE2 3.11Å
31I74.7Confident69.5Low45 Ų4565.7 Ų65.723%0.23133%0.334CS..THydrogen-bonded Turntrans-65.5130.8179.6-61167.6000110.3Q57 Y59I31-Q57 HydrophobicContact CD1-CB 4.09Å; I31-Q57 WeakPolarHBondContact CG1-O 3.15Å; I31-Q57 PolarHBondContact N-O 2.98Å; I31-Y59 HydrophobicContact CD1-CD1 4.3Å; I31-Y59 HydrophobicContact CD1-CE1 4.37Å; I31-Y59 HydrophobicContact CG1-CD1 4.07Å; I31-Y59 HydrophobicContact CG1-CD2 3.96Å; I31-Y59 HydrophobicContact CG1-CE1 3.86Å; I31-Y59 HydrophobicContact CG1-CE2 3.72Å; I31-Y59 HydrophobicContact CG1-CG 4.13Å
32G66.4Low67Low15 Ų1569.2 Ų69.216%0.15537%0.365CS..THydrogen-bonded Turntrans94.6-0.417400000114.8V30 A34 S35 E250V30-G32 PolarHBondContact O-N 3.16Å; G32-A34 VanDerWaalsContact C-N 3.3Å; G32-A34 PolarHBondContact O-N 2.98Å; G32-S35 PolarHBondContact O-N 2.9Å; G32-S35 PolarHBondContact O-OG 3.49Å; G32-E250 VanDerWaalsContact CA-OE2 3.28Å; G32-E250 WeakPolarHBondContact CA-OE2 3.4Å; G32-E250 PolarHBondContact N-OE1 2.95Å; G32-E250 PolarHBondContact N-OE2 3.23Å
33R66.9Low64.6Low126 Ų12673.5 Ų73.548%0.47539%0.391SS..G310 helixtrans-61.5-37177.2-167.6179.3-173.9168.16.7112S35 K36R33-S35 PolarHBondContact O-N 2.64Å; R33-K36 PolarHBondContact O-N 3.2Å
34A60.9Low62.2Low14 Ų1482.5 Ų82.512%0.11643%0.433CS..G310 helixtrans-70.8-17.2-178.200000113G32 E250G32-A34 VanDerWaalsContact C-N 3.3Å; G32-A34 PolarHBondContact O-N 2.98Å; A34-E250 HydrophobicContact CB-CB 4.32Å; A34-E250 WeakPolarHBondContact CB-OE2 3.26Å; A34-E250 PolarHBondContact N-OE2 3.34Å
35S54.9Low59.8Low83 Ų8388.9 Ų88.958%0.5846%0.464SS*.G310 helixtrans-96.3-12.9179.564.40000115.1G32 R33G32-S35 PolarHBondContact O-N 2.9Å; G32-S35 PolarHBondContact O-OG 3.49Å; R33-S35 PolarHBondContact O-N 2.64Å
36K51.3Low57.2Low130 Ų13092.6 Ų92.657%0.56549%0.491SS*.  trans-110.72.5-169.2-73.3-177.2179.4177.60115.1R33 E38 D39R33-K36 PolarHBondContact O-N 3.2Å; K36-E38 PolarHBondContact O-N 2.9Å; K36-D39 PolarHBondContact O-N 2.99Å; K36-D39 VanDerWaalsContact O-N 3.1Å
37A47Very low54.4Low41 Ų41100.3 Ų100.334%0.33953%0.532SS..THydrogen-bonded Turntrans-60.7-14.3-174.800000114.4D39A37-D39 VanDerWaalsContact C-N 3.3Å; A37-D39 PolarHBondContact O-N 2.98Å
38E40.8Very low51.7Low168 Ų168104.9 Ų104.979%0.78556%0.558SS**THydrogen-bonded Turntrans-72.2-15.7174.8-65.9-170.6162.400114.4K36K36-E38 PolarHBondContact O-N 2.9Å
39D42.5Very low49.2Very low119 Ų119104.9 Ų104.964%0.63657%0.567SS**SBendtrans-108.6-7.8-172.7-73.1-32.3000114.7K36 A37 V43K36-D39 PolarHBondContact O-N 2.99Å; K36-D39 VanDerWaalsContact O-N 3.1Å; A37-D39 VanDerWaalsContact C-N 3.3Å; A37-D39 PolarHBondContact O-N 2.98Å; D39-V43 WeakPolarHBondContact O-CG2 3.41Å
40E45.4Very low46.7Very low115 Ų115109.6 Ų109.654%0.53760%0.602SS.*G310 helixtrans-85.2-25.3-171.2-75.1-176.9172.200114.6A42 V43E40-A42 PolarHBondContact O-N 3.03Å; E40-A42 VanDerWaalsContact O-N 3.11Å; E40-V43 PolarHBondContact O-N 3.22Å
41E39.6Very low44.6Very low202 Ų202115.4 Ų115.494%0.94462%0.623SS**G310 helixtrans-70.4-4.4176.2-73.8-171.9167.100114.3
42A37.9Very low42.4Very low86 Ų86123 Ų12371%0.71166%0.657SS**G310 helixtrans-109.4-0-179.600000114.5E40E40-A42 PolarHBondContact O-N 3.03Å; E40-A42 VanDerWaalsContact O-N 3.11Å
43V42.4Very low40.8Very low92 Ų92128.7 Ų128.756%0.55869%0.689SS**THydrogen-bonded Turntrans-104.4-17.6-169.4-174.20000113.4D39 E40 E45 S46D39-V43 WeakPolarHBondContact O-CG2 3.41Å; E40-V43 PolarHBondContact O-N 3.22Å; V43-E45 VanDerWaalsContact C-N 3.26Å; V43-E45 PolarHBondContact O-N 3.46Å; V43-S46 PolarHBondContact O-N 3.45Å
44E39.4Very low39.4Very low190 Ų190125.7 Ų125.789%0.88870%0.697SS**THydrogen-bonded Turntrans-72-8.8-177.5-69.9-173169.100115.1
45E39.6Very low38.6Very low198 Ų198132.3 Ų132.393%0.92573%0.731SS**THydrogen-bonded Turntrans-102.53.4175.4-75.6-164.6155.900115.2V43V43-E45 VanDerWaalsContact C-N 3.26Å; V43-E45 PolarHBondContact O-N 3.46Å
46S34Very low38.8Very low87 Ų87132.3 Ų132.361%0.60873%0.729SS**  trans-116.378.5-17766.60000114.1V43V43-S46 PolarHBondContact O-N 3.45Å
47N28.3Very low39.6Very low161 Ų161130.1 Ų130.186%0.86172%0.72SS**  trans-54.3148.6157.4-101.5-41.7000111.1
48V30.6Very low41.2Very low125 Ų125129.9 Ų129.976%0.75872%0.715SS**  trans96.580.9165.1-162.30000116.7
49T30.8Very low43.2Very low118 Ų118122.1 Ų122.172%0.72468%0.678SS**  173122.5112.1280000111.6K51T49-K51 PolarHBondContact O-N 2.86Å
50S30.3Very low45.2Very low130 Ų130117.4 Ų117.491%0.90965%0.654SS**  trans-53.396169.653.60000112.4
51K32.3Very low47.3Very low178 Ų178112 Ų11277%0.77463%0.63SS**  trans-108.2128.9159.2-79-179.4179.9171.20107.6T49 V53T49-K51 PolarHBondContact O-N 2.86Å; K51-V53 WeakPolarHBondContact O-CG2 3.45Å; K51-V53 PolarHBondContact O-N 3.49Å
52Q28.8Very low49.6Very low205 Ų205104.9 Ų104.996%0.95859%0.594SS**  trans-50.8102-179.4-65.6172.8-24.100111G54Q52-G54 PolarHBondContact O-N 3.29Å
53V33.4Very low52Low135 Ų135100.8 Ų100.882%0.81856%0.561SS**  trans-82.2112.6171.7-177.60000106.7K51K51-V53 WeakPolarHBondContact O-CG2 3.45Å; K51-V53 PolarHBondContact O-N 3.49Å
54G36.8Very low54.1Low63 Ų6396.5 Ų96.565%0.64954%0.535SS*.  trans-63.5142173.400000110.2Q52Q52-G54 PolarHBondContact O-N 3.29Å
55N45.3Very low56.2Low153 Ų15388.8 Ų88.882%0.81850%0.501SS*.  trans-43.6130.3-178.3-82.53.4000111.6Q57N55-Q57 PolarHBondContact O-N 3.43Å
56P59Low58.1Low83 Ų8383.3 Ų83.354%0.53948%0.478SS..PPolyproline II helixtrans-57.2131.3178.721.9-30.9000110.1V30 T58V30-P56 HydrophobicContact CB-CB 4.37Å; V30-P56 HydrophobicContact CG1-CB 3.63Å; V30-P56 HydrophobicContact CG2-CB 3.8Å; V30-P56 HydrophobicContact CG2-CG 4.4Å; P56-T58 PolarHBondContact O-N 2.88Å
57Q68Low59.8Low83 Ų8386.7 Ų86.739%0.38849%0.489SS..PPolyproline II helixtrans-75.8119.9176.2-70.3-175.7-55.300109.3A4 I31 N55A4-Q57 PolarHBondContact O-NE2 3.28Å; A4-Q57 VanDerWaalsContact O-NE2 3.08Å; I31-Q57 HydrophobicContact CD1-CB 4.09Å; I31-Q57 WeakPolarHBondContact CG1-O 3.15Å; I31-Q57 PolarHBondContact N-O 2.98Å; N55-Q57 PolarHBondContact O-N 3.43Å
58T80.7Confident61.8Low36 Ų3683.3 Ų83.322%0.22148%0.478CS..BIsolated β-bridgetrans-97161.3171.256.90000111.1S27 P56S27-T58 WeakPolarHBondContact O-CB 3.4Å; P56-T58 PolarHBondContact O-N 2.88Å
59Y82.9Confident63.6Low6 Ų679.5 Ų79.52%0.02446%0.456CS..PPolyproline II helixtrans-67.8138.3175.9-67.5-83.3000111.3V9 L29 I31 Y97 M249 E250V9-Y59 HydrophobicContact CG2-CD1 3.57Å; V9-Y59 HydrophobicContact CG2-CE1 4.37Å; V9-Y59 HydrophobicContact CG2-CG 4.11Å; L29-Y59 HydrophobicContact CB-CD2 4.5Å; I31-Y59 HydrophobicContact CD1-CD1 4.3Å; I31-Y59 HydrophobicContact CD1-CE1 4.37Å; I31-Y59 HydrophobicContact CG1-CD1 4.07Å; I31-Y59 HydrophobicContact CG1-CD2 3.96Å; I31-Y59 HydrophobicContact CG1-CE1 3.86Å; I31-Y59 HydrophobicContact CG1-CE2 3.72Å; I31-Y59 HydrophobicContact CG1-CG 4.13Å; Y59-Y97 HydrophobicContact CE1-CE2 4.36Å; Y59-M249 HydrophobicContact CD1-CE 4.08Å; Y59-M249 HydrophobicContact CE1-CE 3.61Å; Y59-E250 PolarHBondContact OH-OE1 3.16Å
60S84.8Confident65.2Low19 Ų1982.8 Ų82.813%0.13346%0.46CS..EExtended strand (participates in β ladder)trans-90.6110.9169.3-170.70000108.7S7 K8 V9 Y62S7-S60 PolarHBondContact O-N 3.39Å; K8-S60 WeakPolarHBondContact CA-O 3.46Å; V9-S60 PolarHBondContact N-O 3.39Å; S60-Y62 WeakPolarHBondContact OG-CE2 3.38Å
61V87.9Confident67.1Low3 Ų383.4 Ų83.42%0.01845%0.454CS..EExtended strand (participates in β ladder)trans-93.1127-175.8-169.60000110.3V9 I11 A23 L26 V76 N77V9-V61 CarbonylContact O-C 3.6Å; V9-V61 WeakPolarHBondContact O-CA 3.48Å; I11-V61 HydrophobicContact CD1-CG1 4.04Å; I11-V61 HydrophobicContact CG1-CG1 4.27Å; A23-V61 HydrophobicContact CB-CG1 3.91Å; L26-V61 HydrophobicContact CB-CG2 4.31Å; V61-V76 HydrophobicContact CG1-CG1 4.25Å; V61-V76 HydrophobicContact CG1-CG2 4.48Å; V61-N77 PolarHBondContact O-N 2.9Å
62Y88.6Confident69Low51 Ų5178.1 Ų78.120%0.244%0.437CS..EExtended strand (participates in β ladder)trans-113.3148.9172.1-66.1-97.3000108.5K8 V9 F10 I11 S60 N77 I79K8-Y62 HydrophobicContact CB-CD2 4.23Å; K8-Y62 HydrophobicContact CB-CE2 3.92Å; K8-Y62 HydrophobicContact CD-CE2 3.88Å; K8-Y62 HydrophobicContact CG-CE2 3.76Å; V9-Y62 PolarHBondContact O-N 3.33Å; F10-Y62 CarbonylContact C-O 3.46Å; F10-Y62 VanDerWaalsContact CA-O 3.31Å; F10-Y62 WeakPolarHBondContact CA-O 3.48Å; I11-Y62 PolarHBondContact N-O 2.9Å; S60-Y62 WeakPolarHBondContact OG-CE2 3.38Å; Y62-N77 VanDerWaalsContact CA-O 3.29Å; Y62-N77 WeakPolarHBondContact CA-O 3.3Å; Y62-N77 HydrophobicContact CD1-CB 3.45Å; Y62-N77 VanDerWaalsContact CD1-CB 3.45Å; Y62-N77 HydrophobicContact CE1-CB 3.61Å; Y62-N77 HydrophobicContact CG-CB 4.09Å; Y62-I79 HydrophobicContact CD1-CD1 4.23Å; Y62-I79 HydrophobicContact CD1-CG1 4.34Å; Y62-I79 HydrophobicContact CG-CD1 4.48Å
63G87.8Confident71.3Confident0 Ų069.4 Ų69.40%040%0.398CS..EExtended strand (participates in β ladder)trans-166.5167.4174.800000114.9I11 N77 I78 I79I11-G63 WeakPolarHBondContact O-CA 3.31Å; G63-N77 PolarHBondContact N-O 3.22Å; G63-N77 VanDerWaalsContact N-O 3.09Å; G63-I78 CarbonylContact O-C 3.6Å; G63-I78 WeakPolarHBondContact O-CA 3.33Å; G63-I79 PolarHBondContact O-N 3.41Å
64T87.4Confident73.4Confident3 Ų367 Ų672%0.01840%0.401CS..  trans-96.3160.2171.751.50000110.5F10 I11 A12 N13 V14 Y88F10-T64 HydrophobicContact CE2-CG2 4.07Å; F10-T64 HydrophobicContact CZ-CG2 3.94Å; I11-T64 PolarHBondContact O-N 3.07Å; A12-T64 WeakPolarHBondContact CA-OG1 3.42Å; N13-T64 CarbonylContact C-O 3.53Å; N13-T64 VanDerWaalsContact CA-O 3.26Å; N13-T64 WeakPolarHBondContact CA-O 3.24Å; N13-T64 PolarHBondContact N-O 3Å; N13-T64 PolarHBondContact N-OG1 3.07Å; N13-T64 PolarHBondContact OD1-OG1 2.84Å; V14-T64 PolarHBondContact N-O 2.98Å; T64-Y88 HydrophobicContact CG2-CD2 4.43Å; T64-Y88 HydrophobicContact CG2-CE2 3.35Å
65V83.4Confident75.5Confident28 Ų2868.1 Ų68.117%0.1739%0.388CS..  trans-138.1142.7176.1164.80000106.7D15 C69 P72 I78D15-V65 HydrophobicContact CB-CG1 4.08Å; D15-V65 HydrophobicContact CB-CG2 4.48Å; V65-C69 HydrophobicContact CG1-CB 3.13Å; V65-P72 HydrophobicContact CG2-CB 4.26Å; V65-I78 HydrophobicContact CG2-CD1 3.69Å
66D78.6Confident77.2Confident83 Ų8361.3 Ų61.344%0.44435%0.352SS..  trans-63.7147.9174.7-172.334.7000111.9D15 S68 C69D15-D66 PolarHBondContact OD1-N 3.18Å; D66-S68 PolarHBondContact O-N 3.23Å; D66-S68 PolarHBondContact OD2-OG 3.16Å; D66-C69 WeakPolarHBondContact O-CB 3.36Å; D66-C69 PolarHBondContact O-N 2.86Å
67D70.7Confident78.3Confident158 Ų15861.2 Ų61.285%0.84535%0.347SS*.THydrogen-bonded Turntrans-59.5-20.1-176.7-73.8-24.9000112.7C69D67-C69 VanDerWaalsContact C-N 3.34Å
68S69.6Low79Confident90 Ų9060.2 Ų60.263%0.62934%0.344SS*.THydrogen-bonded Turntrans-78.6-13.9179.868.70000114.3D66D66-S68 PolarHBondContact O-N 3.23Å; D66-S68 PolarHBondContact OD2-OG 3.16Å
69C68.6Low78.8Confident44 Ų4458.8 Ų58.830%0.29734%0.335SS..  trans-78.3127.5-175.5-172.10000112.1D15 V65 D66 D67D15-C69 HydrophobicContact CB-CB 4.35Å; V65-C69 HydrophobicContact CG1-CB 3.13Å; D66-C69 WeakPolarHBondContact O-CB 3.36Å; D66-C69 PolarHBondContact O-N 2.86Å; D67-C69 VanDerWaalsContact C-N 3.34Å
70K64.8Low78.3Confident188 Ų18862.2 Ų62.282%0.81736%0.356SS*.SBendtrans-88-31.9-178.2-65.3-178.6-178.8176.80113.5
71D70.5Confident77.5Confident143 Ų14365.5 Ų65.577%0.76537%0.371SS*.SBendtrans-134.787.4-169.6-62.6-50.2000110.1
72P72.4Confident76.3Confident66 Ų6668.9 Ų68.943%0.42939%0.389SS..  trans-69.2152.4178.327.6-33.7000111.9V65 G74 I78V65-P72 HydrophobicContact CG2-CB 4.26Å; P72-G74 PolarHBondContact O-N 2.96Å; P72-I78 HydrophobicContact CB-CD1 4Å; P72-I78 HydrophobicContact CB-CG1 3.8Å; P72-I78 HydrophobicContact CG-CG1 4.37Å
73P76.2Confident74.8Confident22 Ų2276.1 Ų76.114%0.14342%0.424CS..  trans-64.8119.6179.823-30.3000111.6V14 F75 V76V14-P73 HydrophobicContact CG1-CG 4.08Å; P73-F75 HydrophobicContact CB-CD1 3.98Å; P73-F75 HydrophobicContact CB-CE1 3.45Å; P73-F75 VanDerWaalsContact CB-CE1 3.45Å; P73-F75 HydrophobicContact CB-CE2 4.02Å; P73-F75 HydrophobicContact CB-CG 4.48Å; P73-F75 HydrophobicContact CB-CZ 3.47Å; P73-F75 VanDerWaalsContact CB-CZ 3.47Å; P73-F75 HydrophobicContact CG-CZ 4.35Å; P73-F75 PolarHBondContact O-N 3.32Å; P73-V76 HydrophobicContact CB-CG2 4.11Å; P73-V76 HydrophobicContact CG-CB 4.17Å; P73-V76 HydrophobicContact CG-CG2 3.77Å; P73-V76 PolarHBondContact O-N 3.08Å
74G76.6Confident73.3Confident85 Ų8583 Ų8388%0.87646%0.455SS*.THydrogen-bonded Turntrans-65.5-9.3-176.200000115.8P72P72-G74 PolarHBondContact O-N 2.96Å
75F81.7Confident72.6Confident86 Ų8690.9 Ų90.938%0.37748%0.484SS..THydrogen-bonded Turntrans-89.3-0.3174.756.8-95.3000113.3A23 K24 P73A23-F75 HydrophobicContact CB-CE2 3.98Å; K24-F75 HydrophobicContact CB-CE1 4.47Å; K24-F75 HydrophobicContact CB-CE2 3.88Å; K24-F75 HydrophobicContact CB-CZ 3.75Å; K24-F75 HydrophobicContact CG-CZ 4.36Å; P73-F75 HydrophobicContact CB-CD1 3.98Å; P73-F75 HydrophobicContact CB-CE1 3.45Å; P73-F75 VanDerWaalsContact CB-CE1 3.45Å; P73-F75 HydrophobicContact CB-CE2 4.02Å; P73-F75 HydrophobicContact CB-CG 4.48Å; P73-F75 HydrophobicContact CB-CZ 3.47Å; P73-F75 VanDerWaalsContact CB-CZ 3.47Å; P73-F75 HydrophobicContact CG-CZ 4.35Å; P73-F75 PolarHBondContact O-N 3.32Å
76V79.9Confident72.1Confident11 Ų1196.5 Ų96.57%0.06751%0.508CS..SBendtrans-117.4134.8-178.1-173.10000110.4V14 A23 V61 P73 I78V14-V76 HydrophobicContact CG1-CG2 3.95Å; V14-V76 HydrophobicContact CG2-CG1 4.39Å; A23-V76 HydrophobicContact CB-CG2 4.11Å; V61-V76 HydrophobicContact CG1-CG1 4.25Å; V61-V76 HydrophobicContact CG1-CG2 4.48Å; P73-V76 HydrophobicContact CB-CG2 4.11Å; P73-V76 HydrophobicContact CG-CB 4.17Å; P73-V76 HydrophobicContact CG-CG2 3.77Å; P73-V76 PolarHBondContact O-N 3.08Å; V76-I78 HydrophobicContact CB-CD1 4.09Å; V76-I78 HydrophobicContact CG1-CD1 3.98Å; V76-I78 PolarHBondContact O-N 3.24Å
77N82.2Confident71.8Confident80 Ų8096.4 Ų96.443%0.42851%0.505SS..EExtended strand (participates in β ladder)trans-79.1102.3171-67.8-50.4000109.7V61 Y62 G63 I79V61-N77 PolarHBondContact O-N 2.9Å; Y62-N77 VanDerWaalsContact CA-O 3.29Å; Y62-N77 WeakPolarHBondContact CA-O 3.3Å; Y62-N77 HydrophobicContact CD1-CB 3.45Å; Y62-N77 VanDerWaalsContact CD1-CB 3.45Å; Y62-N77 HydrophobicContact CE1-CB 3.61Å; Y62-N77 HydrophobicContact CG-CB 4.09Å; G63-N77 PolarHBondContact N-O 3.22Å; G63-N77 VanDerWaalsContact N-O 3.09Å; N77-I79 PolarHBondContact O-N 2.92Å
78I82.6Confident72.2Confident63 Ų6389 Ų8932%0.32347%0.465SS..EExtended strand (participates in β ladder)trans-72.1129.3-176.6-54.2-53.2000111.2G63 V65 P72 V76G63-I78 CarbonylContact O-C 3.6Å; G63-I78 WeakPolarHBondContact O-CA 3.33Å; V65-I78 HydrophobicContact CG2-CD1 3.69Å; P72-I78 HydrophobicContact CB-CD1 4Å; P72-I78 HydrophobicContact CB-CG1 3.8Å; P72-I78 HydrophobicContact CG-CG1 4.37Å; V76-I78 HydrophobicContact CB-CD1 4.09Å; V76-I78 HydrophobicContact CG1-CD1 3.98Å; V76-I78 PolarHBondContact O-N 3.24Å
79I78.6Confident72.8Confident5 Ų585.3 Ų85.33%0.02644%0.439CS..  trans-103113.9170.4-56.7175.8000107.2F10 Y62 G63 N77 Y88 K91F10-I79 HydrophobicContact CD2-CD1 3.9Å; F10-I79 HydrophobicContact CE2-CD1 4Å; Y62-I79 HydrophobicContact CD1-CD1 4.23Å; Y62-I79 HydrophobicContact CD1-CG1 4.34Å; Y62-I79 HydrophobicContact CG-CD1 4.48Å; G63-I79 PolarHBondContact O-N 3.41Å; N77-I79 PolarHBondContact O-N 2.92Å; I79-Y88 HydrophobicContact CG2-CD2 3.66Å; I79-Y88 HydrophobicContact CG2-CE2 4.18Å; I79-K91 HydrophobicContact CD1-CB 3.83Å; I79-K91 HydrophobicContact CG1-CB 4.43Å; I79-K91 HydrophobicContact CG1-CD 4.35Å; I79-K91 HydrophobicContact CG2-CB 4.26Å; I79-K91 HydrophobicContact CG2-CD 3.82Å
80T72.2Confident73.6Confident78 Ų7888.5 Ų88.548%0.47945%0.45SS..  trans-77.4137.7175.144.80000111D82T80-D82 VanDerWaalsContact C-N 3.32Å; T80-D82 PolarHBondContact O-N 3.14Å
81M66.2Low74.4Confident89 Ų8983.6 Ų83.644%0.43843%0.428SS..  trans-7584.6170-69.3-109.661.400108.9Y88M81-Y88 HydrophobicContact CE-CD1 3.1Å; M81-Y88 HydrophobicContact CE-CD2 3.49Å; M81-Y88 VanDerWaalsContact CE-CD2 3.49Å; M81-Y88 HydrophobicContact CE-CE1 3.24Å; M81-Y88 HydrophobicContact CE-CE2 3.68Å; M81-Y88 HydrophobicContact CE-CG 3.18Å; M81-Y88 HydrophobicContact CG-CE2 4.31Å; M81-Y88 HydrophobicContact SD-CD1 4.41Å; M81-Y88 HydrophobicContact SD-CD2 4.46Å; M81-Y88 HydrophobicContact SD-CE1 4Å; M81-Y88 HydrophobicContact SD-CE2 4.13Å
82D62.7Low75.1Confident73 Ų7376.8 Ų76.839%0.3939%0.392SS..  trans-75.3151.4174.7-70.8-33.3000111.1T80 K84 R85T80-D82 VanDerWaalsContact C-N 3.32Å; T80-D82 PolarHBondContact O-N 3.14Å; D82-K84 CarbonylContact O-C 3.54Å; D82-K84 VanDerWaalsContact O-C 3.24Å; D82-K84 PolarHBondContact O-N 2.85Å; D82-R85 PolarHBondContact O-N 3.33Å
83E57.1Low75.7Confident204 Ų20474.7 Ų74.795%0.95338%0.377SS*.SBendtrans-48.7-27.9178.4-67.1-175.1158.800112.9R85E83-R85 PolarHBondContact O-N 3.3Å
84K57.4Low76.1Confident145 Ų14578.9 Ų78.963%0.6339%0.394SS*.SBendtrans-86.780.5169.3-59.5178.5-169.9167.40109.3D82 Q86 E87D82-K84 CarbonylContact O-C 3.54Å; D82-K84 VanDerWaalsContact O-C 3.24Å; D82-K84 PolarHBondContact O-N 2.85Å; K84-Q86 PolarHBondContact O-N 3.47Å; K84-E87 PolarHBondContact O-N 3.04Å; K84-E87 VanDerWaalsContact O-N 3.1Å
85R72.9Confident76.6Confident168 Ų16874.9 Ų74.963%0.63435%0.353SS*.Hα-helixtrans-42-17.2172.5-64.8-176.5178.7-173.6-3.5115.5D82 E83 V89 W114D82-R85 PolarHBondContact O-N 3.33Å; E83-R85 PolarHBondContact O-N 3.3Å; R85-V89 VanDerWaalsContact O-CG2 3.26Å; R85-V89 WeakPolarHBondContact O-CG2 3.21Å; R85-V89 PolarHBondContact O-N 3.2Å; R85-W114 HydrophobicContact CB-CH2 4.2Å
86Q71.9Confident77Confident145 Ų14572.7 Ų72.768%0.67835%0.345SS*.Hα-helixtrans-69.3-44.2179.2-154.1136.616.100113.7K84 Y88 V89 E90K84-Q86 PolarHBondContact O-N 3.47Å; Q86-Y88 VanDerWaalsContact C-N 3.27Å; Q86-Y88 PolarHBondContact O-N 2.84Å; Q86-V89 PolarHBondContact O-N 2.93Å; Q86-E90 VanDerWaalsContact O-CG 3.31Å; Q86-E90 WeakPolarHBondContact O-CG 3.18Å; Q86-E90 PolarHBondContact O-N 3.03Å
87E72.7Confident77.6Confident82 Ų8273.1 Ų73.138%0.38335%0.346SS..Hα-helixtrans-66.7-33.8178.7-70.4-177.5-154.600111.5K84 K91K84-E87 PolarHBondContact O-N 3.04Å; K84-E87 VanDerWaalsContact O-N 3.1Å; E87-K91 WeakPolarHBondContact O-CG 3.47Å; E87-K91 PolarHBondContact O-N 2.53Å; E87-K91 VanDerWaalsContact O-N 3.13Å
88Y79.4Confident78.1Confident2 Ų269.4 Ų69.41%0.00833%0.326CS..Hα-helixtrans-59.4-53172.5174-115.4000111.8F10 T64 I79 M81 Q86 E90 K91 I92 W114 I115F10-Y88 HydrophobicContact CZ-CE2 4.38Å; T64-Y88 HydrophobicContact CG2-CD2 4.43Å; T64-Y88 HydrophobicContact CG2-CE2 3.35Å; I79-Y88 HydrophobicContact CG2-CD2 3.66Å; I79-Y88 HydrophobicContact CG2-CE2 4.18Å; M81-Y88 HydrophobicContact CE-CD1 3.1Å; M81-Y88 HydrophobicContact CE-CD2 3.49Å; M81-Y88 VanDerWaalsContact CE-CD2 3.49Å; M81-Y88 HydrophobicContact CE-CE1 3.24Å; M81-Y88 HydrophobicContact CE-CE2 3.68Å; M81-Y88 HydrophobicContact CE-CG 3.18Å; M81-Y88 HydrophobicContact CG-CE2 4.31Å; M81-Y88 HydrophobicContact SD-CD1 4.41Å; M81-Y88 HydrophobicContact SD-CD2 4.46Å; M81-Y88 HydrophobicContact SD-CE1 4Å; M81-Y88 HydrophobicContact SD-CE2 4.13Å; Q86-Y88 VanDerWaalsContact C-N 3.27Å; Q86-Y88 PolarHBondContact O-N 2.84Å; Y88-E90 VanDerWaalsContact C-N 3.34Å; Y88-E90 PolarHBondContact O-N 3.03Å; Y88-K91 PolarHBondContact O-N 3.1Å; Y88-I92 HydrophobicContact CD1-CD1 3.94Å; Y88-I92 HydrophobicContact CD2-CD1 4.05Å; Y88-I92 HydrophobicContact CE1-CD1 3.46Å; Y88-I92 VanDerWaalsContact CE1-CD1 3.46Å; Y88-I92 HydrophobicContact CE2-CD1 3.52Å; Y88-I92 HydrophobicContact CE2-CG1 4.32Å; Y88-I92 HydrophobicContact CG-CD1 4.25Å; Y88-I92 WeakPolarHBondContact O-CG1 3.15Å; Y88-I92 PolarHBondContact O-N 3.07Å; Y88-I92 VanDerWaalsContact O-N 3.1Å; Y88-W114 HydrophobicContact CD1-CZ3 4.31Å; Y88-W114 HydrophobicContact CE1-CZ3 4.36Å; Y88-I115 HydrophobicContact CD1-CD1 4.24Å; Y88-I115 HydrophobicContact CE1-CD1 3.83Å; Y88-I115 HydrophobicContact CE1-CG1 4.39Å
89V83.3Confident78.7Confident12 Ų1266.5 Ų66.57%0.07331%0.311CS..Hα-helixtrans-62.7-42.5-179.9173.50000110.6R85 Q86 K91 I92 M93 W114 I115 Q118R85-V89 VanDerWaalsContact O-CG2 3.26Å; R85-V89 WeakPolarHBondContact O-CG2 3.21Å; R85-V89 PolarHBondContact O-N 3.2Å; Q86-V89 PolarHBondContact O-N 2.93Å; V89-K91 VanDerWaalsContact C-N 3.35Å; V89-K91 PolarHBondContact O-N 3.2Å; V89-I92 PolarHBondContact O-N 3.09Å; V89-M93 HydrophobicContact CG1-CE 3.55Å; V89-M93 HydrophobicContact CG1-CG 4.08Å; V89-M93 HydrophobicContact CG1-SD 4.34Å; V89-M93 WeakPolarHBondContact O-CB 3.18Å; V89-M93 WeakPolarHBondContact O-CG 3.31Å; V89-M93 PolarHBondContact O-N 3.48Å; V89-W114 HydrophobicContact CG2-CH2 3.37Å; V89-W114 HydrophobicContact CG2-CZ2 4.21Å; V89-W114 HydrophobicContact CG2-CZ3 3.86Å; V89-I115 HydrophobicContact CG2-CD1 4Å; V89-Q118 HydrophobicContact CG1-CB 4.19Å; V89-Q118 HydrophobicContact CG1-CG 4.45Å; V89-Q118 HydrophobicContact CG2-CG 4.38Å
90E83.6Confident79.5Confident112 Ų11266.3 Ų66.352%0.52331%0.31SS..Hα-helixtrans-58-44.6177.9-75.7172.7-168.800112.3Q86 Y88 M93 E94Q86-E90 VanDerWaalsContact O-CG 3.31Å; Q86-E90 WeakPolarHBondContact O-CG 3.18Å; Q86-E90 PolarHBondContact O-N 3.03Å; Y88-E90 VanDerWaalsContact C-N 3.34Å; Y88-E90 PolarHBondContact O-N 3.03Å; E90-M93 WeakPolarHBondContact O-CB 3.49Å; E90-M93 PolarHBondContact O-N 3.31Å; E90-E94 PolarHBondContact O-N 3.18Å
91K82.3Confident80.5Confident84 Ų8462.8 Ų62.837%0.36529%0.288SS..Hα-helixtrans-66.9-38.1177-72173.3178.8170.70112.8I79 E87 Y88 V89 M93 E94I79-K91 HydrophobicContact CD1-CB 3.83Å; I79-K91 HydrophobicContact CG1-CB 4.43Å; I79-K91 HydrophobicContact CG1-CD 4.35Å; I79-K91 HydrophobicContact CG2-CB 4.26Å; I79-K91 HydrophobicContact CG2-CD 3.82Å; E87-K91 WeakPolarHBondContact O-CG 3.47Å; E87-K91 PolarHBondContact O-N 2.53Å; E87-K91 VanDerWaalsContact O-N 3.13Å; Y88-K91 PolarHBondContact O-N 3.1Å; V89-K91 VanDerWaalsContact C-N 3.35Å; V89-K91 PolarHBondContact O-N 3.2Å; K91-M93 VanDerWaalsContact C-N 3.32Å; K91-E94 WeakPolarHBondContact O-CB 3.34Å; K91-E94 PolarHBondContact O-N 3.11Å
92I85.3Confident81.8Confident1 Ų158.6 Ų58.61%0.00527%0.267CS..Hα-helixtrans-65.3-39.6174.3-68.8175.3000110.6F10 Y88 V89 E94 C95 I98 I115F10-I92 HydrophobicContact CD1-CD1 4.44Å; F10-I92 HydrophobicContact CD1-CG1 4.38Å; F10-I92 HydrophobicContact CD1-CG2 4.49Å; F10-I92 HydrophobicContact CD2-CD1 4.39Å; F10-I92 HydrophobicContact CD2-CG1 3.83Å; F10-I92 HydrophobicContact CE1-CD1 3.91Å; F10-I92 HydrophobicContact CE1-CG1 4.28Å; F10-I92 HydrophobicContact CE2-CD1 3.85Å; F10-I92 HydrophobicContact CE2-CG1 3.71Å; F10-I92 HydrophobicContact CG-CG1 4.15Å; F10-I92 HydrophobicContact CZ-CD1 3.57Å; F10-I92 HydrophobicContact CZ-CG1 3.94Å; Y88-I92 HydrophobicContact CD1-CD1 3.94Å; Y88-I92 HydrophobicContact CD2-CD1 4.05Å; Y88-I92 HydrophobicContact CE1-CD1 3.46Å; Y88-I92 VanDerWaalsContact CE1-CD1 3.46Å; Y88-I92 HydrophobicContact CE2-CD1 3.52Å; Y88-I92 HydrophobicContact CE2-CG1 4.32Å; Y88-I92 HydrophobicContact CG-CD1 4.25Å; Y88-I92 WeakPolarHBondContact O-CG1 3.15Å; Y88-I92 PolarHBondContact O-N 3.07Å; Y88-I92 VanDerWaalsContact O-N 3.1Å; V89-I92 PolarHBondContact O-N 3.09Å; I92-E94 PolarHBondContact O-N 3.09Å; I92-C95 WeakPolarHBondContact O-CB 3.27Å; I92-C95 PolarHBondContact O-N 3.05Å; I92-I98 HydrophobicContact CG2-CD1 3.77Å; I92-I98 HydrophobicContact CG2-CG1 4.22Å; I92-I98 HydrophobicContact CG2-CG2 4.43Å; I92-I115 HydrophobicContact CD1-CD1 3.94Å; I92-I115 HydrophobicContact CG2-CG2 4.16Å
93M84.5Confident83.1Confident22 Ų2255.1 Ų55.111%0.10825%0.249CC..Hα-helixtrans-62.5-26.1178.1-73.9-22-176.900113.2V89 E90 K91 C95 Q118 I119 N122 F126 K130V89-M93 HydrophobicContact CG1-CE 3.55Å; V89-M93 HydrophobicContact CG1-CG 4.08Å; V89-M93 HydrophobicContact CG1-SD 4.34Å; V89-M93 WeakPolarHBondContact O-CB 3.18Å; V89-M93 WeakPolarHBondContact O-CG 3.31Å; V89-M93 PolarHBondContact O-N 3.48Å; E90-M93 WeakPolarHBondContact O-CB 3.49Å; E90-M93 PolarHBondContact O-N 3.31Å; K91-M93 VanDerWaalsContact C-N 3.32Å; M93-C95 VanDerWaalsContact C-N 3.29Å; M93-Q118 HydrophobicContact CE-CB 3.67Å; M93-Q118 WeakPolarHBondContact CE-O 3.28Å; M93-I119 HydrophobicContact CE-CB 4.32Å; M93-I119 HydrophobicContact CE-CG1 3.8Å; M93-I119 HydrophobicContact SD-CG1 3.71Å; M93-N122 HydrophobicContact CE-CB 4.38Å; M93-F126 HydrophobicContact CB-CE1 3.88Å; M93-F126 HydrophobicContact CB-CZ 4.31Å; M93-F126 HydrophobicContact CE-CZ 4.31Å; M93-F126 HydrophobicContact CG-CE1 4.06Å; M93-F126 HydrophobicContact CG-CZ 4Å; M93-F126 HydrophobicContact SD-CE1 4.16Å; M93-F126 HydrophobicContact SD-CZ 3.61Å; M93-K130 WeakPolarHBondContact O-CE 3.35Å; M93-K130 PolarHBondContact O-NZ 3.07Å
94E86Confident84.3Confident110 Ų11047.4 Ų47.451%0.51421%0.214SC..Hα-helixtrans-69.6-25.5172-67.3-173.9-168.700113.1K8 E90 K91 I92 K130K8-E94 IonicContact NZ-OE2 3.45Å; K8-E94 PolarHBondContact NZ-OE2 3.37Å; E90-E94 PolarHBondContact O-N 3.18Å; K91-E94 WeakPolarHBondContact O-CB 3.34Å; K91-E94 PolarHBondContact O-N 3.11Å; I92-E94 PolarHBondContact O-N 3.09Å; E94-K130 PolarHBondContact O-NZ 3.26Å
95C87.1Confident85.6Confident1 Ų142.3 Ų42.31%0.00719%0.194CC..  trans-76.9141.3-176.8-61.10000111.1K8 F10 I92 M93 K130K8-C95 HydrophobicContact CB-CB 4.26Å; F10-C95 HydrophobicContact CB-CB 3.93Å; I92-C95 WeakPolarHBondContact O-CB 3.27Å; I92-C95 PolarHBondContact O-N 3.05Å; M93-C95 VanDerWaalsContact C-N 3.29Å; C95-K130 VanDerWaalsContact C-NZ 3.31Å; C95-K130 VanDerWaalsContact O-CD 3.26Å; C95-K130 WeakPolarHBondContact O-CD 3.28Å; C95-K130 WeakPolarHBondContact O-CE 3.42Å; C95-K130 PolarHBondContact O-NZ 2.83Å
96D89.2Confident86.2Confident39 Ų3939.3 Ų39.321%0.20919%0.187CC..SBendtrans-85.2-31.9-178.9-63.6-51.7000112.3K8 T128 K130 I131K8-D96 PolarHBondContact O-N 3.27Å; D96-T128 PolarHBondContact OD1-OG1 3.3Å; D96-T128 VanDerWaalsContact OD1-OG1 3.09Å; D96-K130 IonicContact OD1-NZ 3.71Å; D96-K130 PolarHBondContact OD1-NZ 3.04Å; D96-I131 PolarHBondContact O-N 2.94Å
97Y92.5Very high86.9Confident21 Ų2136.4 Ų36.48%0.08218%0.179CC..EExtended strand (participates in β ladder)trans-118.4132.1179.1-51.7-85.1000109.4K8 V9 F10 Y59 I131 M249K8-Y97 PolarHBondContact O-N 3.49Å; V9-Y97 CarbonylContact C-O 3.58Å; V9-Y97 WeakPolarHBondContact CA-O 3.38Å; V9-Y97 HydrophobicContact CG2-CD2 4Å; V9-Y97 HydrophobicContact CG2-CG 4.44Å; F10-Y97 PolarHBondContact N-O 3.15Å; Y59-Y97 HydrophobicContact CE1-CE2 4.36Å; Y97-I131 CarbonylContact C-O 3.59Å; Y97-I131 WeakPolarHBondContact CA-O 3.24Å; Y97-I131 HydrophobicContact CD1-CB 3.88Å; Y97-I131 HydrophobicContact CD1-CD1 3.93Å; Y97-I131 HydrophobicContact CD1-CG1 4.46Å; Y97-I131 HydrophobicContact CD1-CG2 4.31Å; Y97-I131 HydrophobicContact CE1-CB 4.37Å; Y97-I131 HydrophobicContact CE1-CD1 3.51Å; Y97-I131 HydrophobicContact CE1-CG1 4.46Å; Y97-M249 HydrophobicContact CD1-CB 3.79Å; Y97-M249 HydrophobicContact CD1-CE 3.75Å; Y97-M249 HydrophobicContact CD1-CG 3.56Å; Y97-M249 HydrophobicContact CD1-SD 4.3Å; Y97-M249 HydrophobicContact CD2-CE 3.7Å; Y97-M249 HydrophobicContact CE1-CB 3.56Å; Y97-M249 HydrophobicContact CE1-CE 4.13Å; Y97-M249 HydrophobicContact CE1-CG 3.92Å; Y97-M249 HydrophobicContact CE2-CE 4.12Å; Y97-M249 HydrophobicContact CG-CE 3.5Å; Y97-M249 HydrophobicContact CG-CG 4.23Å; Y97-M249 HydrophobicContact CG-SD 4.39Å
98I93.6Very high87.7Confident2 Ų232.9 Ų32.91%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-129.1113.7-175.6-60.4171.6000107.3F10 I92 Y100 I119 I131 F132 I133F10-I98 HydrophobicContact CB-CG1 4.47Å; F10-I98 HydrophobicContact CD1-CG2 3.97Å; I92-I98 HydrophobicContact CG2-CD1 3.77Å; I92-I98 HydrophobicContact CG2-CG1 4.22Å; I92-I98 HydrophobicContact CG2-CG2 4.43Å; I98-Y100 HydrophobicContact CG2-CD2 3.91Å; I98-Y100 HydrophobicContact CG2-CE2 3.61Å; I98-I119 HydrophobicContact CD1-CD1 3.43Å; I98-I119 VanDerWaalsContact CD1-CD1 3.43Å; I98-I119 HydrophobicContact CD1-CG1 4.22Å; I98-I131 PolarHBondContact N-O 3.25Å; I98-F132 HydrophobicContact CB-CD2 4.07Å; I98-F132 HydrophobicContact CG2-CD2 3.7Å; I98-F132 HydrophobicContact CG2-CE2 3.9Å; I98-F132 CarbonylContact O-C 3.59Å; I98-F132 WeakPolarHBondContact O-CA 3.46Å; I98-I133 PolarHBondContact O-N 3.03Å
99I94.8Very high88.3Confident2 Ų233.1 Ų33.11%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-115.1121.7-174.3-53.1178000109V9 F10 I11 A12 L26 I133 I135 M249V9-I99 HydrophobicContact CG1-CD1 3.8Å; V9-I99 HydrophobicContact CG1-CG1 4.27Å; F10-I99 PolarHBondContact O-N 3.05Å; I11-I99 WeakPolarHBondContact CA-O 3.22Å; I11-I99 HydrophobicContact CG1-CB 4.3Å; I11-I99 HydrophobicContact CG1-CD1 4.39Å; A12-I99 PolarHBondContact N-O 3.2Å; L26-I99 HydrophobicContact CD1-CD1 4.09Å; I99-I133 WeakPolarHBondContact CA-O 3.19Å; I99-I133 HydrophobicContact CG1-CB 4.35Å; I99-I135 HydrophobicContact CG2-CD1 3.78Å; I99-I135 HydrophobicContact CG2-CG1 4.21Å; I99-M249 HydrophobicContact CD1-SD 4.27Å
100Y94.5Very high88.7Confident0 Ų038.7 Ų38.70%019%0.194CC..EExtended strand (participates in β ladder)trans-116.3126.4171.9-83.9-91.7000109.7F10 A12 I98 V108 A112 I115 F132 I133 L134 I135F10-Y100 HydrophobicContact CD1-CE2 4.31Å; F10-Y100 AromaticContact CE1-CE2 3.9Å; F10-Y100 HydrophobicContact CE1-CE2 3.9Å; F10-Y100 AromaticContact CE1-CZ 3.74Å; F10-Y100 WeakPolarHBondContact CE1-OH 3.45Å; A12-Y100 HydrophobicContact CB-CD1 3.63Å; A12-Y100 HydrophobicContact CB-CE1 3.45Å; A12-Y100 VanDerWaalsContact CB-CE1 3.45Å; A12-Y100 HydrophobicContact CB-CG 4.4Å; I98-Y100 HydrophobicContact CG2-CD2 3.91Å; I98-Y100 HydrophobicContact CG2-CE2 3.61Å; Y100-V108 HydrophobicContact CD1-CG1 3.85Å; Y100-V108 HydrophobicContact CE1-CG1 4.46Å; Y100-A112 HydrophobicContact CD1-CB 3.54Å; Y100-A112 HydrophobicContact CD2-CB 4.29Å; Y100-A112 HydrophobicContact CE1-CB 4.18Å; Y100-A112 HydrophobicContact CG-CB 3.61Å; Y100-I115 HydrophobicContact CE2-CB 4.3Å; Y100-I115 HydrophobicContact CE2-CG2 3.98Å; Y100-I115 WeakPolarHBondContact OH-CG1 3.4Å; Y100-F132 AromaticContact CD2-CE2 3.56Å; Y100-F132 HydrophobicContact CD2-CE2 3.56Å; Y100-F132 AromaticContact CD2-CZ 3.74Å; Y100-F132 HydrophobicContact CD2-CZ 3.74Å; Y100-F132 AromaticContact CE2-CE2 3.94Å; Y100-F132 HydrophobicContact CE2-CE2 3.94Å; Y100-F132 HydrophobicContact CE2-CZ 4.47Å; Y100-F132 HydrophobicContact CG-CZ 4.34Å; Y100-I133 PolarHBondContact N-O 3.31Å; Y100-L134 CarbonylContact O-C 3.56Å; Y100-L134 WeakPolarHBondContact O-CA 3.39Å; Y100-I135 PolarHBondContact O-N 3.42Å
101N94Very high89Confident5 Ų535.3 Ų35.33%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-101115.4172.1-176.821.1000110.2D18 E19 K103 I135D18-N101 WeakPolarHBondContact CB-ND2 3.38Å; E19-N101 HydrophobicContact CG-CB 3.96Å; E19-N101 VanDerWaalsContact OE1-CB 3.28Å; E19-N101 WeakPolarHBondContact OE1-CB 3.36Å; E19-N101 PolarHBondContact OE1-ND2 3.16Å; N101-K103 WeakPolarHBondContact OD1-CB 3.29Å; N101-K103 PolarHBondContact OD1-N 2.84Å; N101-I135 HydrophobicContact CB-CB 4.27Å
102I93.2Very high89.4Confident0 Ų031.4 Ų31.40%016%0.163CC..  trans-108.51.5175.563.3161.5000111.7D104 D105 V108 I109 L134 I135 H173 A176I102-D104 VanDerWaalsContact C-N 3.29Å; I102-D104 PolarHBondContact O-N 2.79Å; I102-D105 PolarHBondContact O-N 2.78Å; I102-V108 HydrophobicContact CG2-CB 4.36Å; I102-V108 HydrophobicContact CG2-CG1 4.33Å; I102-I109 HydrophobicContact CB-CG1 3.92Å; I102-I109 HydrophobicContact CD1-CD1 4.41Å; I102-I109 HydrophobicContact CD1-CG1 4.07Å; I102-I109 HydrophobicContact CG2-CG1 3.8Å; I102-L134 HydrophobicContact CB-CD1 4.44Å; I102-L134 HydrophobicContact CD1-CD1 4.01Å; I102-L134 HydrophobicContact CD1-CD2 3.8Å; I102-L134 HydrophobicContact CD1-CG 4.06Å; I102-L134 HydrophobicContact CG1-CD1 3.89Å; I102-L134 HydrophobicContact CG1-CD2 4.41Å; I102-L134 HydrophobicContact CG1-CG 4.1Å; I102-L134 HydrophobicContact CG2-CD1 3.74Å; I102-I135 WeakPolarHBondContact CG1-O 3.27Å; I102-I135 PolarHBondContact N-O 2.84Å; I102-H173 HydrophobicContact CD1-CB 4.28Å; I102-H173 PolarHBondContact O-CD2 3.12Å; I102-H173 PolarHBondContact O-NE2 3.4Å; I102-A176 HydrophobicContact CD1-CB 4.08Å
103K90.2Very high89.8Confident0 Ų033.1 Ų33.10%017%0.172CC..SBendtrans-51.9-45.3-173.4173.9-179.5143-75.10113.1D18 N101 C198 T201D18-K103 IonicContact OD2-NZ 2.68Å; D18-K103 PolarHBondContact OD2-NZ 2.88Å; N101-K103 WeakPolarHBondContact OD1-CB 3.29Å; N101-K103 PolarHBondContact OD1-N 2.84Å; K103-C198 VanDerWaalsContact CD-SG 3.54Å; K103-T201 PolarHBondContact NZ-OG1 2.84Å
104D83.2Confident90.1Very high43 Ų4335.7 Ų35.723%0.2318%0.18CC..SBendtrans-104.4-14.8-172.2-69.2-24.3000114.2I102 N207 N301 Q305I102-D104 VanDerWaalsContact C-N 3.29Å; I102-D104 PolarHBondContact O-N 2.79Å; D104-N207 PolarHBondContact OD2-ND2 2.79Å; D104-N301 WeakPolarHBondContact CA-ND2 3.43Å; D104-N301 PolarHBondContact O-ND2 3.23Å; D104-Q305 PolarHBondContact OD1-NE2 3.1Å
105D84.1Confident90.3Very high38 Ų3830.4 Ų30.420%0.20316%0.156CC..  trans-141.4109.4-170.7-169.8-1.3000112.7K16 I102 T107 V108K16-D105 VanDerWaalsContact NZ-CB 3.27Å; K16-D105 IonicContact NZ-OD2 3.44Å; K16-D105 PolarHBondContact NZ-OD2 3.38Å; I102-D105 PolarHBondContact O-N 2.78Å; D105-T107 PolarHBondContact O-N 3.39Å; D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.48Å; D105-T107 PolarHBondContact OD1-N 2.76Å; D105-T107 PolarHBondContact OD1-OG1 2.95Å; D105-T107 PolarHBondContact OD2-OG1 3.2Å; D105-V108 HydrophobicContact CB-CG2 4.14Å; D105-V108 PolarHBondContact O-N 3.09Å
106H85.6Confident90.5Very high104 Ų10430.4 Ų30.448%0.48116%0.155SC..THydrogen-bonded Turntrans-63-24.5175.370.4-60.7000114V108 I109 E172H106-V108 PolarHBondContact O-N 2.86Å; H106-I109 HydrophobicContact CB-CD1 4.1Å; H106-I109 VanDerWaalsContact O-CB 3.26Å; H106-I109 WeakPolarHBondContact O-CB 3.26Å; H106-I109 VanDerWaalsContact O-CG1 3.32Å; H106-I109 WeakPolarHBondContact O-CG1 3.38Å; H106-I109 PolarHBondContact O-N 3.34Å; H106-I109 VanDerWaalsContact O-N 3.12Å; H106-E172 IonicContact CD2-OE2 3.53Å
107T87.1Confident90.6Very high85 Ų8531.8 Ų31.852%0.52116%0.163SC..THydrogen-bonded Turntrans-67.8-23-177.366.20000112.9D105 I109D105-T107 PolarHBondContact O-N 3.39Å; D105-T107 WeakPolarHBondContact OD1-CB 3.39Å; D105-T107 WeakPolarHBondContact OD1-CG2 3.48Å; D105-T107 PolarHBondContact OD1-N 2.76Å; D105-T107 PolarHBondContact OD1-OG1 2.95Å; D105-T107 PolarHBondContact OD2-OG1 3.2Å; T107-I109 VanDerWaalsContact C-N 3.27Å; T107-I109 PolarHBondContact O-N 2.94Å
108V89.4Confident90.4Very high8 Ų833.4 Ų33.45%0.04817%0.171CC..Hα-helixtrans-76.4-17.3178.1-1760000111.6Y100 I102 D105 H106 D110 D111 A112Y100-V108 HydrophobicContact CD1-CG1 3.85Å; Y100-V108 HydrophobicContact CE1-CG1 4.46Å; I102-V108 HydrophobicContact CG2-CB 4.36Å; I102-V108 HydrophobicContact CG2-CG1 4.33Å; D105-V108 HydrophobicContact CB-CG2 4.14Å; D105-V108 PolarHBondContact O-N 3.09Å; H106-V108 PolarHBondContact O-N 2.86Å; V108-D110 PolarHBondContact O-N 3.22Å; V108-D111 PolarHBondContact O-N 3.19Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 2.87Å
109I91.6Very high90.1Very high7 Ų733.3 Ų33.34%0.03617%0.171CC..Hα-helixtrans-61.6-46.8-176-65.8172.9000111.5I102 H106 T107 D111 A112 L113 E172 A176I102-I109 HydrophobicContact CB-CG1 3.92Å; I102-I109 HydrophobicContact CD1-CD1 4.41Å; I102-I109 HydrophobicContact CD1-CG1 4.07Å; I102-I109 HydrophobicContact CG2-CG1 3.8Å; H106-I109 HydrophobicContact CB-CD1 4.1Å; H106-I109 VanDerWaalsContact O-CB 3.26Å; H106-I109 WeakPolarHBondContact O-CB 3.26Å; H106-I109 VanDerWaalsContact O-CG1 3.32Å; H106-I109 WeakPolarHBondContact O-CG1 3.38Å; H106-I109 PolarHBondContact O-N 3.34Å; H106-I109 VanDerWaalsContact O-N 3.12Å; T107-I109 VanDerWaalsContact C-N 3.27Å; T107-I109 PolarHBondContact O-N 2.94Å; I109-D111 VanDerWaalsContact C-N 3.32Å; I109-D111 PolarHBondContact O-N 2.83Å; I109-A112 PolarHBondContact O-N 3.17Å; I109-L113 HydrophobicContact CG2-CD1 3.95Å; I109-L113 HydrophobicContact CG2-CG 4.37Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.44Å; I109-E172 HydrophobicContact CD1-CB 3.89Å; I109-A176 HydrophobicContact CG2-CB 3.64Å
110D91.2Very high89.8Confident129 Ų12935 Ų3569%0.6918%0.179SC*.Hα-helixtrans-64.2-39.6-177.5-75.2-18.8000111.4V108 W114V108-D110 PolarHBondContact O-N 3.22Å; D110-W114 WeakPolarHBondContact O-CB 3.26Å; D110-W114 PolarHBondContact O-N 2.82Å
111D89.3Confident89.4Confident40 Ų4039.2 Ų39.221%0.21421%0.209CC..Hα-helixtrans-67.6-44.6176.1-170.943.2000111.5V108 I109 L113 W114 I115V108-D111 PolarHBondContact O-N 3.19Å; I109-D111 VanDerWaalsContact C-N 3.32Å; I109-D111 PolarHBondContact O-N 2.83Å; D111-L113 PolarHBondContact O-N 3.38Å; D111-W114 PolarHBondContact O-N 2.68Å; D111-I115 WeakPolarHBondContact O-CB 3.39Å; D111-I115 WeakPolarHBondContact O-CG1 3.35Å; D111-I115 PolarHBondContact O-N 2.64Å
112A92.1Very high89Confident3 Ų342 Ų423%0.02522%0.224CC..Hα-helixtrans-58.8-45.1177.400000112.2Y100 V108 I109 L116 F132 L134Y100-A112 HydrophobicContact CD1-CB 3.54Å; Y100-A112 HydrophobicContact CD2-CB 4.29Å; Y100-A112 HydrophobicContact CE1-CB 4.18Å; Y100-A112 HydrophobicContact CG-CB 3.61Å; V108-A112 WeakPolarHBondContact O-CB 3.45Å; V108-A112 PolarHBondContact O-N 2.87Å; I109-A112 PolarHBondContact O-N 3.17Å; A112-L116 WeakPolarHBondContact O-CB 3.39Å; A112-L116 PolarHBondContact O-N 2.81Å; A112-F132 HydrophobicContact CB-CZ 4.41Å; A112-L134 HydrophobicContact CB-CD1 4.33Å
113L92.7Very high88.4Confident37 Ų3743 Ų4319%0.19423%0.229CC..Hα-helixtrans-69.5-40177.5-68.4178.6000111.8I109 D111 L116 D117 A176 V180I109-L113 HydrophobicContact CG2-CD1 3.95Å; I109-L113 HydrophobicContact CG2-CG 4.37Å; I109-L113 WeakPolarHBondContact O-CG 3.48Å; I109-L113 PolarHBondContact O-N 3.44Å; D111-L113 PolarHBondContact O-N 3.38Å; L113-L116 PolarHBondContact O-N 2.97Å; L113-D117 PolarHBondContact O-N 3.33Å; L113-A176 HydrophobicContact CD1-CB 4.41Å; L113-A176 HydrophobicContact CD2-CB 4.49Å; L113-V180 HydrophobicContact CD2-CG2 4.18Å
114W91.7Very high88Confident75 Ų7551.7 Ų51.728%0.28427%0.27SS..Hα-helixtrans-62.4-44.5176.8176.870.4000111.9R85 Y88 V89 D110 D111 L116 D117 Q118R85-W114 HydrophobicContact CB-CH2 4.2Å; Y88-W114 HydrophobicContact CD1-CZ3 4.31Å; Y88-W114 HydrophobicContact CE1-CZ3 4.36Å; V89-W114 HydrophobicContact CG2-CH2 3.37Å; V89-W114 HydrophobicContact CG2-CZ2 4.21Å; V89-W114 HydrophobicContact CG2-CZ3 3.86Å; D110-W114 WeakPolarHBondContact O-CB 3.26Å; D110-W114 PolarHBondContact O-N 2.82Å; D111-W114 PolarHBondContact O-N 2.68Å; W114-L116 VanDerWaalsContact C-N 3.34Å; W114-D117 WeakPolarHBondContact O-CB 3.31Å; W114-D117 PolarHBondContact O-N 2.67Å; W114-Q118 HydrophobicContact CD2-CG 4.27Å; W114-Q118 HydrophobicContact CH2-CG 4.36Å; W114-Q118 HydrophobicContact CZ2-CG 3.9Å; W114-Q118 WeakPolarHBondContact O-CG 3.18Å; W114-Q118 PolarHBondContact O-N 3.27Å
115I90.3Very high87.9Confident0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-64.2-40.4175.7-73.1-68.2000111.2Y88 V89 I92 Y100 D111 D117 Q118 I119Y88-I115 HydrophobicContact CD1-CD1 4.24Å; Y88-I115 HydrophobicContact CE1-CD1 3.83Å; Y88-I115 HydrophobicContact CE1-CG1 4.39Å; V89-I115 HydrophobicContact CG2-CD1 4Å; I92-I115 HydrophobicContact CD1-CD1 3.94Å; I92-I115 HydrophobicContact CG2-CG2 4.16Å; Y100-I115 HydrophobicContact CE2-CB 4.3Å; Y100-I115 HydrophobicContact CE2-CG2 3.98Å; Y100-I115 WeakPolarHBondContact OH-CG1 3.4Å; D111-I115 WeakPolarHBondContact O-CB 3.39Å; D111-I115 WeakPolarHBondContact O-CG1 3.35Å; D111-I115 PolarHBondContact O-N 2.64Å; I115-D117 VanDerWaalsContact C-N 3.32Å; I115-D117 PolarHBondContact O-N 3.3Å; I115-Q118 WeakPolarHBondContact O-CB 3.19Å; I115-Q118 PolarHBondContact O-N 2.87Å; I115-Q118 VanDerWaalsContact O-N 3.16Å; I115-I119 HydrophobicContact CG2-CD1 3.84Å; I115-I119 HydrophobicContact CG2-CG1 4.4Å; I115-I119 WeakPolarHBondContact O-CD1 3.28Å; I115-I119 VanDerWaalsContact O-CG1 3.25Å; I115-I119 WeakPolarHBondContact O-CG1 3.3Å; I115-I119 PolarHBondContact O-N 3.13Å
116L91Very high87.7Confident0 Ų052.9 Ų52.90%028%0.282CS..Hα-helixtrans-60.4-42.1174.1-17356.4000111.9A112 L113 W114 Q118 I119 L120 F132 V180 Q183 L191 T193A112-L116 WeakPolarHBondContact O-CB 3.39Å; A112-L116 PolarHBondContact O-N 2.81Å; L113-L116 PolarHBondContact O-N 2.97Å; W114-L116 VanDerWaalsContact C-N 3.34Å; L116-Q118 VanDerWaalsContact C-N 3.35Å; L116-Q118 PolarHBondContact O-N 3.48Å; L116-I119 PolarHBondContact O-N 3.33Å; L116-L120 HydrophobicContact CG-CD1 4.46Å; L116-L120 VanDerWaalsContact O-CG 3.28Å; L116-L120 WeakPolarHBondContact O-CG 3.3Å; L116-L120 PolarHBondContact O-N 2.92Å; L116-F132 HydrophobicContact CB-CE2 4.2Å; L116-F132 HydrophobicContact CB-CZ 4.2Å; L116-F132 HydrophobicContact CD1-CB 4.18Å; L116-F132 HydrophobicContact CD1-CD1 4.12Å; L116-F132 HydrophobicContact CD1-CD2 4.06Å; L116-F132 HydrophobicContact CD1-CE2 4.48Å; L116-F132 HydrophobicContact CD1-CG 3.86Å; L116-F132 HydrophobicContact CD2-CD1 4.24Å; L116-F132 HydrophobicContact CD2-CE1 4.12Å; L116-V180 HydrophobicContact CD2-CB 4.19Å; L116-V180 HydrophobicContact CD2-CG1 4.26Å; L116-V180 HydrophobicContact CD2-CG2 3.71Å; L116-Q183 HydrophobicContact CD2-CB 4.37Å; L116-L191 HydrophobicContact CD1-CD2 3.89Å; L116-T193 HydrophobicContact CD1-CG2 4.1Å
117D90.6Very high87.3Confident69 Ų6954.9 Ų54.937%0.36930%0.301SS..Hα-helixtrans-64.3-36.6174.1-76.3-15000112.5L113 W114 I115 L120 S121 Q183L113-D117 PolarHBondContact O-N 3.33Å; W114-D117 WeakPolarHBondContact O-CB 3.31Å; W114-D117 PolarHBondContact O-N 2.67Å; I115-D117 VanDerWaalsContact C-N 3.32Å; I115-D117 PolarHBondContact O-N 3.3Å; D117-L120 PolarHBondContact O-N 2.98Å; D117-S121 WeakPolarHBondContact O-CB 2.82Å; D117-S121 PolarHBondContact O-N 2.79Å; D117-S121 PolarHBondContact O-OG 3.43Å; D117-Q183 PolarHBondContact OD1-NE2 2.81Å
118Q88Confident87.1Confident55 Ų5553.9 Ų53.926%0.25730%0.296SS..Hα-helixtrans-65.1-41.9173-66.7-49.5-63.100111.7V89 M93 W114 I115 L116 L120 S121 N122V89-Q118 HydrophobicContact CG1-CB 4.19Å; V89-Q118 HydrophobicContact CG1-CG 4.45Å; V89-Q118 HydrophobicContact CG2-CG 4.38Å; M93-Q118 HydrophobicContact CE-CB 3.67Å; M93-Q118 WeakPolarHBondContact CE-O 3.28Å; W114-Q118 HydrophobicContact CD2-CG 4.27Å; W114-Q118 HydrophobicContact CH2-CG 4.36Å; W114-Q118 HydrophobicContact CZ2-CG 3.9Å; W114-Q118 WeakPolarHBondContact O-CG 3.18Å; W114-Q118 PolarHBondContact O-N 3.27Å; I115-Q118 WeakPolarHBondContact O-CB 3.19Å; I115-Q118 PolarHBondContact O-N 2.87Å; I115-Q118 VanDerWaalsContact O-N 3.16Å; L116-Q118 VanDerWaalsContact C-N 3.35Å; L116-Q118 PolarHBondContact O-N 3.48Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-S121 PolarHBondContact O-N 2.86Å; Q118-N122 WeakPolarHBondContact O-CB 3.44Å; Q118-N122 PolarHBondContact O-N 3.43Å; Q118-N122 PolarHBondContact O-ND2 2.95Å
119I88Confident86.9Confident0 Ų055.9 Ų55.90%030%0.304CS..Hα-helixtrans-63.2-43.1176.6-64.6160000109.8M93 I98 I115 L116 S121 N122 L123 F126 F132 L191M93-I119 HydrophobicContact CE-CB 4.32Å; M93-I119 HydrophobicContact CE-CG1 3.8Å; M93-I119 HydrophobicContact SD-CG1 3.71Å; I98-I119 HydrophobicContact CD1-CD1 3.43Å; I98-I119 VanDerWaalsContact CD1-CD1 3.43Å; I98-I119 HydrophobicContact CD1-CG1 4.22Å; I115-I119 HydrophobicContact CG2-CD1 3.84Å; I115-I119 HydrophobicContact CG2-CG1 4.4Å; I115-I119 WeakPolarHBondContact O-CD1 3.28Å; I115-I119 VanDerWaalsContact O-CG1 3.25Å; I115-I119 WeakPolarHBondContact O-CG1 3.3Å; I115-I119 PolarHBondContact O-N 3.13Å; L116-I119 PolarHBondContact O-N 3.33Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.92Å; I119-N122 CarbonylContact O-C 3.59Å; I119-N122 PolarHBondContact O-N 3.26Å; I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.25Å; I119-L123 VanDerWaalsContact O-N 3.12Å; I119-F126 HydrophobicContact CG2-CE2 3.86Å; I119-F126 HydrophobicContact CG2-CZ 4.39Å; I119-F132 HydrophobicContact CD1-CD2 3.99Å; I119-L191 HydrophobicContact CG2-CD1 3.85Å; I119-L191 HydrophobicContact CG2-CD2 4.09Å
120L87.4Confident86.8Confident36 Ų3655.9 Ų55.919%0.18830%0.304CS..Hα-helixtrans-62.5-38.9176.5-71.3169.2000112.6L116 D117 Q118 N122 L123 Q183 L191L116-L120 HydrophobicContact CG-CD1 4.46Å; L116-L120 VanDerWaalsContact O-CG 3.28Å; L116-L120 WeakPolarHBondContact O-CG 3.3Å; L116-L120 PolarHBondContact O-N 2.92Å; D117-L120 PolarHBondContact O-N 2.98Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; L120-N122 VanDerWaalsContact C-N 3.3Å; L120-N122 PolarHBondContact O-N 2.7Å; L120-L123 HydrophobicContact CD2-CD1 4.02Å; L120-L123 WeakPolarHBondContact O-CD1 3.41Å; L120-L123 VanDerWaalsContact O-CG 3.24Å; L120-L123 WeakPolarHBondContact O-CG 3.37Å; L120-Q183 HydrophobicContact CD1-CB 3.81Å; L120-Q183 HydrophobicContact CD1-CG 3.78Å; L120-L191 HydrophobicContact CD2-CD2 3.56Å; L120-L191 HydrophobicContact CG-CD2 4.13Å
121S87.1Confident86.9Confident89 Ų8949.8 Ų49.862%0.62227%0.272SS*.Hα-helixtrans-68.6-31.2178.1-59.20000112.3D117 Q118 I119D117-S121 WeakPolarHBondContact O-CB 2.82Å; D117-S121 PolarHBondContact O-N 2.79Å; D117-S121 PolarHBondContact O-OG 3.43Å; Q118-S121 PolarHBondContact O-N 2.86Å; I119-S121 VanDerWaalsContact C-N 3.33Å; I119-S121 PolarHBondContact O-N 2.92Å
122N85.3Confident87.2Confident64 Ų6448 Ų4834%0.34226%0.262SS..THydrogen-bonded Turntrans-101.717.4-178.3-66.2-27.3000113.5M93 Q118 I119 L120 E124 S125 F126M93-N122 HydrophobicContact CE-CB 4.38Å; Q118-N122 WeakPolarHBondContact O-CB 3.44Å; Q118-N122 PolarHBondContact O-N 3.43Å; Q118-N122 PolarHBondContact O-ND2 2.95Å; I119-N122 CarbonylContact O-C 3.59Å; I119-N122 PolarHBondContact O-N 3.26Å; L120-N122 VanDerWaalsContact C-N 3.3Å; L120-N122 PolarHBondContact O-N 2.7Å; N122-E124 PolarHBondContact O-N 3.48Å; N122-S125 PolarHBondContact O-N 3.3Å; N122-S125 PolarHBondContact O-OG 2.92Å; N122-F126 HydrophobicContact CB-CE2 4.3Å; N122-F126 HydrophobicContact CB-CZ 4.14Å; N122-F126 WeakPolarHBondContact O-CD2 3.49Å; N122-F126 WeakPolarHBondContact O-CE2 3.43Å
123L81Confident87.3Confident21 Ų2147.8 Ų47.811%0.1126%0.26CS..G310 helixtrans-55.2-31.1-179.2-72.2172000113.1I119 L120 S125 N187 K190 L191I119-L123 WeakPolarHBondContact O-CG 3.32Å; I119-L123 PolarHBondContact O-N 3.25Å; I119-L123 VanDerWaalsContact O-N 3.12Å; L120-L123 HydrophobicContact CD2-CD1 4.02Å; L120-L123 WeakPolarHBondContact O-CD1 3.41Å; L120-L123 VanDerWaalsContact O-CG 3.24Å; L120-L123 WeakPolarHBondContact O-CG 3.37Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.12Å; L123-N187 HydrophobicContact CD1-CB 4.33Å; L123-K190 HydrophobicContact CB-CD 4.37Å; L123-K190 HydrophobicContact CD2-CB 4.14Å; L123-K190 WeakPolarHBondContact O-CD 3.2Å; L123-K190 PolarHBondContact O-NZ 3.47Å; L123-L191 HydrophobicContact CD2-CB 3.77Å; L123-L191 HydrophobicContact CD2-CD2 4.37Å
124E80.5Confident87.5Confident182 Ų18246.1 Ų46.185%0.8525%0.252SS*.G310 helixtrans-67.3-30.7-179.1-66.6-170.6176.900113.4N122N122-E124 PolarHBondContact O-N 3.48Å
125S81.9Confident87.7Confident84 Ų8442.6 Ų42.659%0.58724%0.238SC*.G310 helixtrans-78.2-19.1-177.755.60000114.2N122 L123 T127N122-S125 PolarHBondContact O-N 3.3Å; N122-S125 PolarHBondContact O-OG 2.92Å; L123-S125 VanDerWaalsContact C-N 3.32Å; L123-S125 PolarHBondContact O-N 3.12Å; S125-T127 PolarHBondContact O-N 3.46Å
126F80.4Confident87.9Confident22 Ų2242.6 Ų42.610%0.09624%0.238CC..  trans-78125.2-177-56.2-53000112.2M93 I119 N122 K130M93-F126 HydrophobicContact CB-CE1 3.88Å; M93-F126 HydrophobicContact CB-CZ 4.31Å; M93-F126 HydrophobicContact CE-CZ 4.31Å; M93-F126 HydrophobicContact CG-CE1 4.06Å; M93-F126 HydrophobicContact CG-CZ 4Å; M93-F126 HydrophobicContact SD-CE1 4.16Å; M93-F126 HydrophobicContact SD-CZ 3.61Å; I119-F126 HydrophobicContact CG2-CE2 3.86Å; I119-F126 HydrophobicContact CG2-CZ 4.39Å; N122-F126 HydrophobicContact CB-CE2 4.3Å; N122-F126 HydrophobicContact CB-CZ 4.14Å; N122-F126 WeakPolarHBondContact O-CD2 3.49Å; N122-F126 WeakPolarHBondContact O-CE2 3.43Å; F126-K130 HydrophobicContact CD1-CG 4.29Å; F126-K130 HydrophobicContact CD2-CG 4.15Å; F126-K130 HydrophobicContact CE2-CG 4.48Å; F126-K130 HydrophobicContact CG-CG 4.08Å
127T76.7Confident88Confident146 Ų14642.7 Ų42.790%0.89624%0.239SC*.SBendtrans-83-29.4169.550.80000111.9S125S125-T127 PolarHBondContact O-N 3.46Å
128T82.3Confident88.1Confident65 Ų6539.4 Ų39.440%0.39922%0.221SC..SBendtrans-104.1152.7178.261.20000111.6D96 K130D96-T128 PolarHBondContact OD1-OG1 3.3Å; D96-T128 VanDerWaalsContact OD1-OG1 3.09Å; T128-K130 PolarHBondContact O-N 3.49Å
129Q86.5Confident88.3Confident49 Ų4936.9 Ų36.923%0.22921%0.209CC..  trans-74.1124.2172.8-175.5-178.844.200109K188 K190 L192Q129-K188 PolarHBondContact NE2-O 2.89Å; Q129-K190 CarbonylContact C-O 3.48Å; Q129-K190 WeakPolarHBondContact CA-O 3.15Å; Q129-L192 HydrophobicContact CG-CG 4.48Å
130K89.8Confident88.4Confident8 Ų836.9 Ų36.94%0.03521%0.209CC..EExtended strand (participates in β ladder)trans-91.7145.5178.3-59.2-60.4-174.4177.70110.8M93 E94 C95 D96 F126 T128 K190 L191 L192M93-K130 WeakPolarHBondContact O-CE 3.35Å; M93-K130 PolarHBondContact O-NZ 3.07Å; E94-K130 PolarHBondContact O-NZ 3.26Å; C95-K130 VanDerWaalsContact C-NZ 3.31Å; C95-K130 VanDerWaalsContact O-CD 3.26Å; C95-K130 WeakPolarHBondContact O-CD 3.28Å; C95-K130 WeakPolarHBondContact O-CE 3.42Å; C95-K130 PolarHBondContact O-NZ 2.83Å; D96-K130 IonicContact OD1-NZ 3.71Å; D96-K130 PolarHBondContact OD1-NZ 3.04Å; F126-K130 HydrophobicContact CD1-CG 4.29Å; F126-K130 HydrophobicContact CD2-CG 4.15Å; F126-K130 HydrophobicContact CE2-CG 4.48Å; F126-K130 HydrophobicContact CG-CG 4.08Å; T128-K130 PolarHBondContact O-N 3.49Å; K130-K190 PolarHBondContact N-O 3.16Å; K130-L191 HydrophobicContact CB-CD1 4.14Å; K130-L191 WeakPolarHBondContact O-CA 3.39Å; K130-L192 PolarHBondContact O-N 3.06Å
131I92.7Very high88.6Confident1 Ų135.2 Ų35.21%0.00520%0.201CC..EExtended strand (participates in β ladder)trans-120120.1176.6-67.9162.1000109.1D96 Y97 I98 I133 L192 Y194 R252D96-I131 PolarHBondContact O-N 2.94Å; Y97-I131 CarbonylContact C-O 3.59Å; Y97-I131 WeakPolarHBondContact CA-O 3.24Å; Y97-I131 HydrophobicContact CD1-CB 3.88Å; Y97-I131 HydrophobicContact CD1-CD1 3.93Å; Y97-I131 HydrophobicContact CD1-CG1 4.46Å; Y97-I131 HydrophobicContact CD1-CG2 4.31Å; Y97-I131 HydrophobicContact CE1-CB 4.37Å; Y97-I131 HydrophobicContact CE1-CD1 3.51Å; Y97-I131 HydrophobicContact CE1-CG1 4.46Å; I98-I131 PolarHBondContact N-O 3.25Å; I131-I133 HydrophobicContact CG2-CD1 4.16Å; I131-I133 HydrophobicContact CG2-CG1 3.83Å; I131-L192 CarbonylContact C-O 3.55Å; I131-L192 WeakPolarHBondContact CA-O 3.02Å; I131-L192 HydrophobicContact CG1-CB 4.14Å; I131-L192 HydrophobicContact CG1-CD1 4.39Å; I131-Y194 HydrophobicContact CG2-CD2 3.83Å; I131-Y194 HydrophobicContact CG2-CE2 3.94Å; I131-R252 HydrophobicContact CD1-CG 4.08Å
132F94.5Very high88.5Confident1 Ų132.4 Ų32.40%0.00418%0.181CC..EExtended strand (participates in β ladder)trans-106.2124.4175.6-175-86.3000109.6I98 Y100 A112 L116 I119 L134 V180 L191 L192 T193 Y194I98-F132 HydrophobicContact CB-CD2 4.07Å; I98-F132 HydrophobicContact CG2-CD2 3.7Å; I98-F132 HydrophobicContact CG2-CE2 3.9Å; I98-F132 CarbonylContact O-C 3.59Å; I98-F132 WeakPolarHBondContact O-CA 3.46Å; Y100-F132 AromaticContact CD2-CE2 3.56Å; Y100-F132 HydrophobicContact CD2-CE2 3.56Å; Y100-F132 AromaticContact CD2-CZ 3.74Å; Y100-F132 HydrophobicContact CD2-CZ 3.74Å; Y100-F132 AromaticContact CE2-CE2 3.94Å; Y100-F132 HydrophobicContact CE2-CE2 3.94Å; Y100-F132 HydrophobicContact CE2-CZ 4.47Å; Y100-F132 HydrophobicContact CG-CZ 4.34Å; A112-F132 HydrophobicContact CB-CZ 4.41Å; L116-F132 HydrophobicContact CB-CE2 4.2Å; L116-F132 HydrophobicContact CB-CZ 4.2Å; L116-F132 HydrophobicContact CD1-CB 4.18Å; L116-F132 HydrophobicContact CD1-CD1 4.12Å; L116-F132 HydrophobicContact CD1-CD2 4.06Å; L116-F132 HydrophobicContact CD1-CE2 4.48Å; L116-F132 HydrophobicContact CD1-CG 3.86Å; L116-F132 HydrophobicContact CD2-CD1 4.24Å; L116-F132 HydrophobicContact CD2-CE1 4.12Å; I119-F132 HydrophobicContact CD1-CD2 3.99Å; F132-L134 HydrophobicContact CE1-CB 4.22Å; F132-V180 HydrophobicContact CD1-CG1 4.1Å; F132-V180 HydrophobicContact CE1-CG1 4.26Å; F132-V180 HydrophobicContact CE1-CG2 4.09Å; F132-L191 HydrophobicContact CB-CD1 4.22Å; F132-L192 PolarHBondContact N-O 2.91Å; F132-T193 HydrophobicContact CB-CG2 4.34Å; F132-T193 CarbonylContact O-C 3.57Å; F132-T193 VanDerWaalsContact O-CA 3.25Å; F132-T193 WeakPolarHBondContact O-CA 3.37Å; F132-Y194 PolarHBondContact O-N 3.05Å
133I95.5Very high88.6Confident0 Ų035.7 Ų35.70%019%0.193CC..EExtended strand (participates in β ladder)trans-120122.4-179-52.8-179.4000108.6I98 I99 Y100 I131 Y194 I196 L245 V248 M249I98-I133 PolarHBondContact O-N 3.03Å; I99-I133 WeakPolarHBondContact CA-O 3.19Å; I99-I133 HydrophobicContact CG1-CB 4.35Å; Y100-I133 PolarHBondContact N-O 3.31Å; I131-I133 HydrophobicContact CG2-CD1 4.16Å; I131-I133 HydrophobicContact CG2-CG1 3.83Å; I133-Y194 WeakPolarHBondContact CA-O 3.37Å; I133-Y194 HydrophobicContact CG1-CD2 4.47Å; I133-I196 HydrophobicContact CG2-CD1 3.64Å; I133-I196 HydrophobicContact CG2-CG1 4.06Å; I133-L245 HydrophobicContact CD1-CD2 4.15Å; I133-L245 HydrophobicContact CG2-CD2 3.74Å; I133-V248 HydrophobicContact CD1-CG1 4.03Å; I133-M249 HydrophobicContact CD1-CG 3.73Å; I133-M249 HydrophobicContact CD1-SD 4.44Å
134L96.1Very high88.8Confident2 Ų235.7 Ų35.71%0.0119%0.194CC..EExtended strand (participates in β ladder)trans-103.7113.3172.6-173.672.8000109.3Y100 I102 A112 F132 A176 V180 Y194 V195 I196Y100-L134 CarbonylContact O-C 3.56Å; Y100-L134 WeakPolarHBondContact O-CA 3.39Å; I102-L134 HydrophobicContact CB-CD1 4.44Å; I102-L134 HydrophobicContact CD1-CD1 4.01Å; I102-L134 HydrophobicContact CD1-CD2 3.8Å; I102-L134 HydrophobicContact CD1-CG 4.06Å; I102-L134 HydrophobicContact CG1-CD1 3.89Å; I102-L134 HydrophobicContact CG1-CD2 4.41Å; I102-L134 HydrophobicContact CG1-CG 4.1Å; I102-L134 HydrophobicContact CG2-CD1 3.74Å; A112-L134 HydrophobicContact CB-CD1 4.33Å; F132-L134 HydrophobicContact CE1-CB 4.22Å; L134-A176 HydrophobicContact CD2-CB 4.35Å; L134-V180 HydrophobicContact CB-CG1 4.41Å; L134-V180 HydrophobicContact CB-CG2 4.36Å; L134-V180 HydrophobicContact CD2-CB 4.39Å; L134-V180 HydrophobicContact CD2-CG2 3.74Å; L134-Y194 PolarHBondContact N-O 3.46Å; L134-V195 HydrophobicContact CB-CG2 4.39Å; L134-V195 HydrophobicContact CD2-CG2 4.48Å; L134-V195 CarbonylContact O-C 3.49Å; L134-V195 WeakPolarHBondContact O-CA 3.48Å; L134-I196 PolarHBondContact O-N 3.2Å
135I96.1Very high88.8Confident1 Ų130.8 Ų30.81%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-85120.6171.2-55.7173.1000107.8I22 I99 Y100 N101 I102 I196 C198 L245I22-I135 HydrophobicContact CD1-CD1 3.93Å; I99-I135 HydrophobicContact CG2-CD1 3.78Å; I99-I135 HydrophobicContact CG2-CG1 4.21Å; Y100-I135 PolarHBondContact O-N 3.42Å; N101-I135 HydrophobicContact CB-CB 4.27Å; I102-I135 WeakPolarHBondContact CG1-O 3.27Å; I102-I135 PolarHBondContact N-O 2.84Å; I135-I196 CarbonylContact C-O 3.47Å; I135-I196 WeakPolarHBondContact CA-O 3.5Å; I135-C198 VanDerWaalsContact CG2-SG 3.52Å; I135-L245 HydrophobicContact CD1-CD1 3.94Å; I135-L245 HydrophobicContact CD1-CD2 4.2Å; I135-L245 HydrophobicContact CG1-CD2 4.33Å
136S94.6Very high88.8Confident0 Ų030.7 Ų30.70%018%0.177CC..EExtended strand (participates in β ladder)trans-125.4172.7-178.2-169.40000111E177 I196 A197 C198S136-E177 WeakPolarHBondContact CB-OE1 3.46Å; S136-E177 PolarHBondContact OG-OE1 3.45Å; S136-I196 PolarHBondContact N-O 2.94Å; S136-A197 WeakPolarHBondContact O-CA 3.25Å; S136-C198 PolarHBondContact O-N 2.97Å; S136-C198 PolarHBondContact O-SG 3.31Å
137S93Very high88.6Confident1 Ų131.3 Ų31.31%0.00718%0.183CC..EExtended strand (participates in β ladder)trans-98.2144.3-177.1-176.10000112.7L139 T140S137-L139 PolarHBondContact O-N 2.98Å; S137-L139 WeakPolarHBondContact OG-CB 3.47Å; S137-L139 PolarHBondContact OG-N 3.05Å; S137-L139 VanDerWaalsContact OG-N 3.15Å; S137-T140 PolarHBondContact O-N 2.83Å; S137-T140 PolarHBondContact O-OG1 3.4Å; S137-T140 VanDerWaalsContact O-OG1 3.09Å
138V92.9Very high88.7Confident0 Ų027 Ų270%016%0.155CC..G310 helixtrans-57.3-14.9165.5-70.90000113.8T140 W141 C198 P234 L259 L310 M312V138-T140 PolarHBondContact O-N 2.76Å; V138-T140 VanDerWaalsContact O-N 3.07Å; V138-W141 VanDerWaalsContact O-CB 3.29Å; V138-W141 WeakPolarHBondContact O-CB 3.19Å; V138-W141 PolarHBondContact O-N 2.86Å; V138-C198 WeakPolarHBondContact CG1-O 3.31Å; V138-C198 PolarHBondContact N-O 3.19Å; V138-C198 VanDerWaalsContact N-O 3.16Å; V138-P234 HydrophobicContact CG2-CB 4.46Å; V138-P234 HydrophobicContact CG2-CG 4.36Å; V138-L259 HydrophobicContact CG1-CD1 3.91Å; V138-L310 HydrophobicContact CB-CD1 4.36Å; V138-L310 WeakPolarHBondContact O-CD1 3.46Å; V138-M312 HydrophobicContact CB-SD 3.88Å; V138-M312 HydrophobicContact CG1-CE 4.29Å; V138-M312 HydrophobicContact CG1-SD 3.51Å; V138-M312 VanDerWaalsContact CG1-SD 3.51Å
139L91.7Very high88.5Confident2 Ų229.1 Ų29.11%0.0117%0.17CC..G310 helixtrans-60.5-16.6173.7-83.9166.6000114.3S137 W141 S142 H167 F170 D304 Q305 V308S137-L139 PolarHBondContact O-N 2.98Å; S137-L139 WeakPolarHBondContact OG-CB 3.47Å; S137-L139 PolarHBondContact OG-N 3.05Å; S137-L139 VanDerWaalsContact OG-N 3.15Å; L139-W141 PolarHBondContact O-N 3.29Å; L139-W141 VanDerWaalsContact O-N 3.14Å; L139-S142 PolarHBondContact O-N 2.79Å; L139-S142 PolarHBondContact O-OG 3.5Å; L139-H167 HydrophobicContact CD2-CB 4.25Å; L139-H167 PolarHBondContact O-N 3.21Å; L139-F170 HydrophobicContact CB-CB 4.32Å; L139-F170 HydrophobicContact CB-CD1 3.8Å; L139-F170 HydrophobicContact CB-CD2 3.89Å; L139-F170 HydrophobicContact CB-CE1 4.04Å; L139-F170 HydrophobicContact CB-CE2 4.15Å; L139-F170 HydrophobicContact CB-CG 3.71Å; L139-F170 HydrophobicContact CB-CZ 4.2Å; L139-F170 HydrophobicContact CD1-CD1 4.39Å; L139-F170 HydrophobicContact CD1-CD2 3.94Å; L139-F170 HydrophobicContact CD1-CE1 3.84Å; L139-F170 HydrophobicContact CD1-CE2 3.35Å; L139-F170 HydrophobicContact CD1-CG 4.44Å; L139-F170 HydrophobicContact CD1-CZ 3.27Å; L139-F170 HydrophobicContact CG-CD2 4.41Å; L139-F170 HydrophobicContact CG-CE2 4.27Å; L139-F170 HydrophobicContact CG-CZ 4.34Å; L139-D304 HydrophobicContact CD1-CB 4.44Å; L139-Q305 HydrophobicContact CD1-CB 4.3Å; L139-Q305 HydrophobicContact CD1-CG 3.49Å; L139-Q305 VanDerWaalsContact CD1-CG 3.49Å; L139-V308 HydrophobicContact CD1-CG2 4.39Å; L139-V308 HydrophobicContact CD2-CG2 3.26Å; L139-V308 HydrophobicContact CG-CG2 3.62Å
140T90.8Very high88.2Confident0 Ų033.9 Ų33.90%020%0.197CC..G310 helixtrans-66.4-6.3169.662.90000113.6S137 V138 K165 S166 H173 L174 E177S137-T140 PolarHBondContact O-N 2.83Å; S137-T140 PolarHBondContact O-OG1 3.4Å; S137-T140 VanDerWaalsContact O-OG1 3.09Å; V138-T140 PolarHBondContact O-N 2.76Å; V138-T140 VanDerWaalsContact O-N 3.07Å; T140-K165 CarbonylContact O-C 3.24Å; T140-S166 WeakPolarHBondContact O-CA 3.49Å; T140-S166 PolarHBondContact O-N 3.44Å; T140-H173 HydrophobicContact CG2-CB 3.82Å; T140-L174 HydrophobicContact CG2-CB 4.26Å; T140-E177 WeakPolarHBondContact CG2-OE1 3.34Å; T140-E177 PolarHBondContact OG1-OE1 3.41Å; T140-E177 PolarHBondContact OG1-OE2 2.72Å
141W90.5Very high87.8Confident1 Ų136.6 Ų36.60%0.00421%0.212CC..G310 helixtrans-110-10177.2-61.474.4000114.7V138 L139 K143 S144 F156 T157 D160 Y161 R164 K165 Y257 L310 M312V138-W141 VanDerWaalsContact O-CB 3.29Å; V138-W141 WeakPolarHBondContact O-CB 3.19Å; V138-W141 PolarHBondContact O-N 2.86Å; L139-W141 PolarHBondContact O-N 3.29Å; L139-W141 VanDerWaalsContact O-N 3.14Å; W141-K143 PolarHBondContact O-N 2.86Å; W141-S144 WeakPolarHBondContact CA-OG 3.46Å; W141-S144 WeakPolarHBondContact O-CB 3.42Å; W141-S144 PolarHBondContact O-N 2.82Å; W141-S144 PolarHBondContact O-OG 2.81Å; W141-F156 HydrophobicContact CE3-CB 4.37Å; W141-F156 AromaticContact CE3-CD1 3.98Å; W141-F156 HydrophobicContact CE3-CD1 3.98Å; W141-F156 HydrophobicContact CE3-CE1 4.5Å; W141-F156 HydrophobicContact CE3-CG 4.18Å; W141-F156 HydrophobicContact CZ3-CB 4.17Å; W141-F156 AromaticContact CZ3-CD1 3.88Å; W141-F156 HydrophobicContact CZ3-CD1 3.88Å; W141-F156 HydrophobicContact CZ3-CG 4.25Å; W141-T157 WeakPolarHBondContact CH2-O 3.08Å; W141-D160 VanDerWaalsContact CH2-C 3.49Å; W141-D160 HydrophobicContact CH2-CB 4.01Å; W141-D160 HydrophobicContact CZ3-CB 3.71Å; W141-Y161 VanDerWaalsContact CZ2-CA 3.47Å; W141-Y161 VanDerWaalsContact CZ2-CB 3.5Å; W141-R164 HydrophobicContact CD2-CB 3.78Å; W141-R164 HydrophobicContact CD2-CG 4.48Å; W141-R164 HydrophobicContact CE3-CB 3.7Å; W141-R164 HydrophobicContact CG-CB 4.24Å; W141-R164 HydrophobicContact CZ3-CB 4.23Å; W141-K165 CarbonylContact C-O 3.23Å; W141-K165 VanDerWaalsContact C-O 3.23Å; W141-Y257 AromaticContact CZ2-CE1 3.87Å; W141-Y257 HydrophobicContact CZ2-CE1 3.87Å; W141-Y257 PolarHBondContact NE1-OH 2.92Å; W141-L310 HydrophobicContact CB-CD1 3.77Å; W141-L310 HydrophobicContact CB-CD2 4.36Å; W141-M312 HydrophobicContact CD2-CE 3.85Å; W141-M312 HydrophobicContact CE3-CE 4.31Å; W141-M312 HydrophobicContact CG-CE 3.96Å; W141-M312 HydrophobicContact CZ2-CE 4.37Å
142S86.3Confident87Confident31 Ų3140.6 Ų40.622%0.21724%0.238CC..THydrogen-bonded Turntrans-57-21.9-166.6610000117L139 K165 H167L139-S142 PolarHBondContact O-N 2.79Å; L139-S142 PolarHBondContact O-OG 3.5Å; S142-K165 PolarHBondContact N-O 3.22Å; S142-H167 WeakPolarHBondContact OG-CA 3.24Å; S142-H167 WeakPolarHBondContact OG-CB 3.46Å; S142-H167 PolarHBondContact OG-N 3.5Å
143K86.4Confident86.3Confident133 Ų13347 Ų4758%0.57827%0.268SS*.THydrogen-bonded Turntrans-112.211.8177.8-67-62.5-175.3-169.20112.9W141 K165W141-K143 PolarHBondContact O-N 2.86Å; K143-K165 HydrophobicContact CB-CB 4.03Å; K143-K165 PolarHBondContact N-O 2.93Å
144S86.2Confident85.7Confident21 Ų2150.3 Ų50.315%0.14728%0.284CS..PPolyproline II helixtrans-66.2142.2177.3-50.10000109.6W141 R164 K165W141-S144 WeakPolarHBondContact CA-OG 3.46Å; W141-S144 WeakPolarHBondContact O-CB 3.42Å; W141-S144 PolarHBondContact O-N 2.82Å; W141-S144 PolarHBondContact O-OG 2.81Å; S144-R164 VanDerWaalsContact OG-CA 3.26Å; S144-R164 WeakPolarHBondContact OG-CA 3.4Å; S144-K165 PolarHBondContact N-O 2.86Å; S144-K165 PolarHBondContact OG-N 2.84Å; S144-K165 PolarHBondContact OG-O 3.29Å
145A79.9Confident85.1Confident79 Ų7951.5 Ų51.565%0.65329%0.292SS*.PPolyproline II helixtrans-66.7146.5167.700000108.5F156A145-F156 VanDerWaalsContact O-CE1 3.25Å; A145-F156 WeakPolarHBondContact O-CE1 3.45Å; A145-F156 VanDerWaalsContact O-CZ 3.24Å; A145-F156 WeakPolarHBondContact O-CZ 3.25Å
146L80.7Confident84.6Confident81 Ų8152 Ų5242%0.42430%0.295SS..PPolyproline II helixtrans-49.8143172.3-68167.7000109.7D148 P152L146-D148 WeakPolarHBondContact CB-O 2.95Å; L146-D148 PolarHBondContact O-N 2.94Å; L146-P152 HydrophobicContact CD1-CB 4.35Å
147P77.2Confident84.2Confident35 Ų3553.8 Ų53.823%0.22731%0.305CS..SBendtrans-65-28.9-175.821.3-22.5000111.6M154 F156P147-M154 HydrophobicContact CB-CE 3.37Å; P147-M154 HydrophobicContact CG-CB 4.47Å; P147-M154 HydrophobicContact CG-CE 3.53Å; P147-M154 HydrophobicContact CG-CG 4.42Å; P147-F156 HydrophobicContact CB-CD1 4.27Å; P147-F156 HydrophobicContact CB-CE1 4.32Å; P147-F156 HydrophobicContact CG-CD1 3.89Å; P147-F156 HydrophobicContact CG-CE1 4.04Å; P147-F156 HydrophobicContact CG-CG 4.36Å
148D79.7Confident83.8Confident57 Ų5753.8 Ų53.831%0.30531%0.306SS..SBendtrans-125.2119.9164.5-168.4-18000108.6L146 D150 D151 M154L146-D148 WeakPolarHBondContact CB-O 2.95Å; L146-D148 PolarHBondContact O-N 2.94Å; D148-D150 PolarHBondContact O-N 2.85Å; D148-D150 WeakPolarHBondContact OD1-CB 3.43Å; D148-D150 PolarHBondContact OD1-N 2.77Å; D148-D151 HydrophobicContact CB-CB 4.31Å; D148-M154 HydrophobicContact CB-CE 3.42Å; D148-M154 VanDerWaalsContact CB-CE 3.42Å; D148-M154 HydrophobicContact CB-SD 3.88Å
149P76.5Confident83.4Confident109 Ų10958.6 Ų58.671%0.70833%0.331SS*.SBendtrans-67.5-20.2175.528-35.2000113.8
150D80.1Confident83Confident148 Ų14860.4 Ų60.479%0.79134%0.341SS*.SBendtrans-87.6-20.4-178.8-65.2-32.8000112.4D148D148-D150 PolarHBondContact O-N 2.85Å; D148-D150 WeakPolarHBondContact OD1-CB 3.43Å; D148-D150 PolarHBondContact OD1-N 2.77Å
151D82.5Confident82.8Confident65 Ų6562.9 Ų62.935%0.34835%0.351SS..  trans-118.295.4176.1-174.33.3000111.5D148 E153 M154D148-D151 HydrophobicContact CB-CB 4.31Å; D151-E153 PolarHBondContact O-N 3.25Å; D151-E153 VanDerWaalsContact O-N 3.15Å; D151-E153 WeakPolarHBondContact OD1-CB 3.46Å; D151-E153 PolarHBondContact OD1-N 3.12Å; D151-M154 HydrophobicContact CB-CB 4.21Å; D151-M154 PolarHBondContact O-N 2.95Å
152P75.8Confident82.4Confident86 Ų8669.2 Ų69.256%0.55838%0.384SS*.THydrogen-bonded Turntrans-67.5-1117829.7-34.7000113.5L146L146-P152 HydrophobicContact CD1-CB 4.35Å
153E78.8Confident82.3Confident135 Ų13577.9 Ų77.963%0.63141%0.412SS*.THydrogen-bonded Turntrans-89.5-12.8178.6-50.3-153.1127.100113.5D151 S155 R311D151-E153 PolarHBondContact O-N 3.25Å; D151-E153 VanDerWaalsContact O-N 3.15Å; D151-E153 WeakPolarHBondContact OD1-CB 3.46Å; D151-E153 PolarHBondContact OD1-N 3.12Å; E153-S155 PolarHBondContact O-N 2.89Å; E153-R311 VanDerWaalsContact CA-NH1 3.3Å; E153-R311 IonicContact OE1-NH1 2.71Å
154M82.9Confident82.3Confident69 Ų6972.4 Ų72.434%0.3439%0.388SS..PPolyproline II helixtrans-66.8118.7-177.3-157.8170.880.400111.5P147 D148 D151P147-M154 HydrophobicContact CB-CE 3.37Å; P147-M154 HydrophobicContact CG-CB 4.47Å; P147-M154 HydrophobicContact CG-CE 3.53Å; P147-M154 HydrophobicContact CG-CG 4.42Å; D148-M154 HydrophobicContact CB-CE 3.42Å; D148-M154 VanDerWaalsContact CB-CE 3.42Å; D148-M154 HydrophobicContact CB-SD 3.88Å; D151-M154 HydrophobicContact CB-CB 4.21Å; D151-M154 PolarHBondContact O-N 2.95Å
155S85.1Confident82.4Confident27 Ų2777.8 Ų77.819%0.18941%0.408CS..PPolyproline II helixtrans-77.9143.4-179.6580000112.4E153 R311E153-S155 PolarHBondContact O-N 2.89Å; S155-R311 CarbonylContact C-O 3.21Å; S155-R311 VanDerWaalsContact CA-O 3.3Å; S155-R311 WeakPolarHBondContact CA-O 3.44Å
156F86Confident82.9Confident13 Ų1374.8 Ų74.86%0.05738%0.383CS..BIsolated β-bridgetrans-65.1140168.9-67.6-77.1000111.7W141 A145 P147 D160 L310 R311 M312 N313W141-F156 HydrophobicContact CE3-CB 4.37Å; W141-F156 AromaticContact CE3-CD1 3.98Å; W141-F156 HydrophobicContact CE3-CD1 3.98Å; W141-F156 HydrophobicContact CE3-CE1 4.5Å; W141-F156 HydrophobicContact CE3-CG 4.18Å; W141-F156 HydrophobicContact CZ3-CB 4.17Å; W141-F156 AromaticContact CZ3-CD1 3.88Å; W141-F156 HydrophobicContact CZ3-CD1 3.88Å; W141-F156 HydrophobicContact CZ3-CG 4.25Å; A145-F156 VanDerWaalsContact O-CE1 3.25Å; A145-F156 WeakPolarHBondContact O-CE1 3.45Å; A145-F156 VanDerWaalsContact O-CZ 3.24Å; A145-F156 WeakPolarHBondContact O-CZ 3.25Å; P147-F156 HydrophobicContact CB-CD1 4.27Å; P147-F156 HydrophobicContact CB-CE1 4.32Å; P147-F156 HydrophobicContact CG-CD1 3.89Å; P147-F156 HydrophobicContact CG-CE1 4.04Å; P147-F156 HydrophobicContact CG-CG 4.36Å; F156-D160 HydrophobicContact CD1-CB 4.24Å; F156-L310 HydrophobicContact CD2-CD2 4.26Å; F156-L310 HydrophobicContact CE2-CD2 3.92Å; F156-R311 PolarHBondContact N-O 3.23Å; F156-M312 HydrophobicContact CB-CE 4.18Å; F156-M312 HydrophobicContact CB-CG 4.27Å; F156-M312 CarbonylContact O-C 3.53Å; F156-M312 WeakPolarHBondContact O-CA 3.46Å; F156-N313 PolarHBondContact O-N 3.41Å
157T86Confident83.4Confident36 Ų3672.7 Ų72.722%0.22137%0.37CS..  trans-115.9167.9174.664.40000111W141 D159 D160W141-T157 WeakPolarHBondContact CH2-O 3.08Å; T157-D159 PolarHBondContact O-N 2.94Å; T157-D159 VanDerWaalsContact O-N 3.08Å; T157-D160 PolarHBondContact N-OD2 3.01Å; T157-D160 PolarHBondContact O-N 3.46Å; T157-D160 VanDerWaalsContact O-N 3.09Å; T157-D160 PolarHBondContact OG1-OD2 2.61Å
158D84.2Confident83.9Confident2 Ų274.5 Ų74.51%0.01138%0.382CS..G310 helixtrans-50.1-31.8173.6-64.7-91.5000113.7D160 Y161 I258 L259D158-D160 VanDerWaalsContact C-N 3.29Å; D158-D160 PolarHBondContact O-N 3.49Å; D158-Y161 WeakPolarHBondContact O-CD1 3.4Å; D158-I258 WeakPolarHBondContact OD1-CA 3.39Å; D158-L259 VanDerWaalsContact OD1-CB 3.22Å; D158-L259 WeakPolarHBondContact OD1-CB 3.36Å; D158-L259 PolarHBondContact OD1-N 3.07Å
159D83.8Confident84.3Confident101 Ų10176.1 Ų76.154%0.5439%0.391SS..G310 helixtrans-74.4-21-175.3-66.7-37.8000112.8T157 Y161 K255T157-D159 PolarHBondContact O-N 2.94Å; T157-D159 VanDerWaalsContact O-N 3.08Å; D159-Y161 PolarHBondContact O-N 3.33Å; D159-K255 VanDerWaalsContact CG-NZ 3.3Å; D159-K255 IonicContact OD1-NZ 2.9Å; D159-K255 PolarHBondContact OD1-NZ 3.37Å; D159-K255 IonicContact OD2-NZ 3.9Å; D159-K255 PolarHBondContact OD2-NZ 2.61Å
160D84.1Confident85Confident40 Ų4071.2 Ų71.221%0.21436%0.359CS..G310 helixtrans-79-4.8-178.7-64-54.6000113.3W141 F156 T157 D158 L162 R163W141-D160 VanDerWaalsContact CH2-C 3.49Å; W141-D160 HydrophobicContact CH2-CB 4.01Å; W141-D160 HydrophobicContact CZ3-CB 3.71Å; F156-D160 HydrophobicContact CD1-CB 4.24Å; T157-D160 PolarHBondContact N-OD2 3.01Å; T157-D160 PolarHBondContact O-N 3.46Å; T157-D160 VanDerWaalsContact O-N 3.09Å; T157-D160 PolarHBondContact OG1-OD2 2.61Å; D158-D160 VanDerWaalsContact C-N 3.29Å; D158-D160 PolarHBondContact O-N 3.49Å; D160-L162 PolarHBondContact O-N 3.4Å; D160-R163 PolarHBondContact O-N 2.93Å
161Y85.2Confident85.5Confident52 Ų5270.3 Ų70.320%0.20435%0.348CS..G310 helixtrans-56.7-36.3-168.883.3-72.3000112.3W141 D158 D159 R163 R164 Y257W141-Y161 VanDerWaalsContact CZ2-CA 3.47Å; W141-Y161 VanDerWaalsContact CZ2-CB 3.5Å; D158-Y161 WeakPolarHBondContact O-CD1 3.4Å; D159-Y161 PolarHBondContact O-N 3.33Å; Y161-R163 PolarHBondContact O-N 3.24Å; Y161-R163 VanDerWaalsContact O-N 3.07Å; Y161-R164 VanDerWaalsContact C-NH1 3.27Å; Y161-R164 VanDerWaalsContact CD2-NH1 3.25Å; Y161-R164 WeakPolarHBondContact O-CB 3.31Å; Y161-R164 WeakPolarHBondContact O-CD 3.2Å; Y161-R164 WeakPolarHBondContact O-CG 3.3Å; Y161-R164 PolarHBondContact O-N 3.47Å; Y161-R164 PolarHBondContact O-NH1 2.85Å; Y161-Y257 HydrophobicContact CD2-CD1 4.19Å; Y161-Y257 AromaticContact CD2-CD2 3.65Å; Y161-Y257 HydrophobicContact CD2-CD2 3.65Å; Y161-Y257 HydrophobicContact CD2-CE2 4.12Å; Y161-Y257 AromaticContact CD2-CG 3.68Å; Y161-Y257 HydrophobicContact CD2-CG 3.68Å; Y161-Y257 HydrophobicContact CE2-CD2 4.23Å; Y161-Y257 HydrophobicContact CE2-CG 4.25Å; Y161-Y257 AromaticContact CG-CD1 3.98Å; Y161-Y257 HydrophobicContact CG-CD1 3.98Å; Y161-Y257 HydrophobicContact CG-CD2 4.27Å; Y161-Y257 HydrophobicContact CG-CE1 4.42Å; Y161-Y257 AromaticContact CG-CG 3.92Å; Y161-Y257 HydrophobicContact CG-CG 3.92Å
162L83.7Confident85.9Confident134 Ų13472.3 Ų72.370%0.70236%0.355SS*.G310 helixtrans-59.8-24-179-67.2172.6000114.5D160D160-L162 PolarHBondContact O-N 3.4Å
163R82.9Confident86.7Confident212 Ų21268.5 Ų68.580%0.833%0.33SS*.G310 helixtrans-991.2-175.8-61.6-179.5-177.8-178.53.3113.8D160 Y161D160-R163 PolarHBondContact O-N 2.93Å; Y161-R163 PolarHBondContact O-N 3.24Å; Y161-R163 VanDerWaalsContact O-N 3.07Å
164R87.3Confident87.4Confident19 Ų1962.9 Ų62.97%0.07230%0.304CS..  trans-67.2150.6-172.576.8-167.2176.1-77.47.7114.1W141 S144 Y161 L174 E177W141-R164 HydrophobicContact CD2-CB 3.78Å; W141-R164 HydrophobicContact CD2-CG 4.48Å; W141-R164 HydrophobicContact CE3-CB 3.7Å; W141-R164 HydrophobicContact CG-CB 4.24Å; W141-R164 HydrophobicContact CZ3-CB 4.23Å; S144-R164 VanDerWaalsContact OG-CA 3.26Å; S144-R164 WeakPolarHBondContact OG-CA 3.4Å; Y161-R164 VanDerWaalsContact C-NH1 3.27Å; Y161-R164 VanDerWaalsContact CD2-NH1 3.25Å; Y161-R164 WeakPolarHBondContact O-CB 3.31Å; Y161-R164 WeakPolarHBondContact O-CD 3.2Å; Y161-R164 WeakPolarHBondContact O-CG 3.3Å; Y161-R164 PolarHBondContact O-N 3.47Å; Y161-R164 PolarHBondContact O-NH1 2.85Å; R164-L174 HydrophobicContact CG-CD1 3.81Å; R164-L174 VanDerWaalsContact CZ-CD1 3.43Å; R164-E177 IonicContact CZ-OE2 3.55Å; R164-E177 VanDerWaalsContact CZ-OE2 3.24Å; R164-E177 IonicContact NE-OE2 3.24Å; R164-E177 PolarHBondContact NE-OE2 2.9Å; R164-E177 IonicContact NH2-OE2 3.18Å; R164-E177 PolarHBondContact NH2-OE2 3.49Å
165K88.4Confident87.9Confident134 Ų13464.8 Ų64.858%0.58332%0.315SS*.  trans-126.2127.8170.6-67.2-179.4-179.1174.90109.5T140 W141 S142 K143 S144T140-K165 CarbonylContact O-C 3.24Å; W141-K165 CarbonylContact C-O 3.23Å; W141-K165 VanDerWaalsContact C-O 3.23Å; S142-K165 PolarHBondContact N-O 3.22Å; K143-K165 HydrophobicContact CB-CB 4.03Å; K143-K165 PolarHBondContact N-O 2.93Å; S144-K165 PolarHBondContact N-O 2.86Å; S144-K165 PolarHBondContact OG-N 2.84Å; S144-K165 PolarHBondContact OG-O 3.29Å
166S90.5Very high88.3Confident16 Ų1663.6 Ų63.611%0.11231%0.307CS..  trans-81.5162.6-175.961.70000113.6T140 F170 K171T140-S166 WeakPolarHBondContact O-CA 3.49Å; T140-S166 PolarHBondContact O-N 3.44Å; S166-F170 WeakPolarHBondContact CB-O 3.38Å; S166-K171 WeakPolarHBondContact OG-CA 3.5Å
167H89.8Confident88.6Confident36 Ų3663 Ų6317%0.16730%0.304CS..  trans-59.3148164.6-164.9-109.7000109.3L139 S142 N169 F170 K171 D304L139-H167 HydrophobicContact CD2-CB 4.25Å; L139-H167 PolarHBondContact O-N 3.21Å; S142-H167 WeakPolarHBondContact OG-CA 3.24Å; S142-H167 WeakPolarHBondContact OG-CB 3.46Å; S142-H167 PolarHBondContact OG-N 3.5Å; H167-N169 PolarHBondContact ND1-N 3.31Å; H167-N169 PolarHBondContact O-N 3.38Å; H167-N169 VanDerWaalsContact O-N 3.16Å; H167-F170 HydrophobicContact CB-CB 4.07Å; H167-F170 HydrophobicContact CB-CD2 3.88Å; H167-F170 HydrophobicContact CB-CG 4.36Å; H167-F170 CarbonylContact O-C 3.59Å; H167-F170 PolarHBondContact O-N 3.13Å; H167-K171 PolarHBondContact O-N 2.69Å; H167-D304 IonicContact CE1-OD1 3.03Å; H167-D304 IonicContact CE1-OD2 2.65Å; H167-D304 PolarHBondContact CE1-OD2 3.45Å; H167-D304 VanDerWaalsContact CE1-OD2 3.29Å; H167-D304 IonicContact ND1-OD2 3.29Å
168P88.2Confident88.9Confident74 Ų7466.3 Ų66.348%0.48132%0.315SS..G310 helixtrans-51.1-38.3175.8-29.937.1000114F170P168-F170 VanDerWaalsContact C-N 3.3Å; P168-F170 PolarHBondContact O-N 3.35Å
169N88.5Confident89.3Confident91 Ų9168.2 Ų68.249%0.48733%0.328SS..G310 helixtrans-78.7-11.6178.9-61.3-16000113.4H167 D304H167-N169 PolarHBondContact ND1-N 3.31Å; H167-N169 PolarHBondContact O-N 3.38Å; H167-N169 VanDerWaalsContact O-N 3.16Å; N169-D304 PolarHBondContact ND2-OD2 3.33Å
170F90.6Very high89.8Confident6 Ų663.4 Ų63.43%0.02630%0.303CS..G310 helixtrans-113.522.1-176.8-72.6-101.2000112.7L139 S166 H167 P168 H173 L174 N301 D304L139-F170 HydrophobicContact CB-CB 4.32Å; L139-F170 HydrophobicContact CB-CD1 3.8Å; L139-F170 HydrophobicContact CB-CD2 3.89Å; L139-F170 HydrophobicContact CB-CE1 4.04Å; L139-F170 HydrophobicContact CB-CE2 4.15Å; L139-F170 HydrophobicContact CB-CG 3.71Å; L139-F170 HydrophobicContact CB-CZ 4.2Å; L139-F170 HydrophobicContact CD1-CD1 4.39Å; L139-F170 HydrophobicContact CD1-CD2 3.94Å; L139-F170 HydrophobicContact CD1-CE1 3.84Å; L139-F170 HydrophobicContact CD1-CE2 3.35Å; L139-F170 HydrophobicContact CD1-CG 4.44Å; L139-F170 HydrophobicContact CD1-CZ 3.27Å; L139-F170 HydrophobicContact CG-CD2 4.41Å; L139-F170 HydrophobicContact CG-CE2 4.27Å; L139-F170 HydrophobicContact CG-CZ 4.34Å; S166-F170 WeakPolarHBondContact CB-O 3.38Å; H167-F170 HydrophobicContact CB-CB 4.07Å; H167-F170 HydrophobicContact CB-CD2 3.88Å; H167-F170 HydrophobicContact CB-CG 4.36Å; H167-F170 CarbonylContact O-C 3.59Å; H167-F170 PolarHBondContact O-N 3.13Å; P168-F170 VanDerWaalsContact C-N 3.3Å; P168-F170 PolarHBondContact O-N 3.35Å; F170-H173 HydrophobicContact CB-CB 4.44Å; F170-H173 HydrophobicContact CD1-CB 4.28Å; F170-H173 AromaticContact CD1-CD2 3.89Å; F170-H173 AromaticContact CD1-CE1 3.71Å; F170-H173 AromaticContact CD1-CG 3.68Å; F170-H173 AromaticContact CD1-ND1 3.56Å; F170-H173 AromaticContact CD1-NE2 3.9Å; F170-H173 AromaticContact CE1-CE1 3.92Å; F170-H173 AromaticContact CE1-NE2 3.89Å; F170-L174 PolarHBondContact O-N 3.28Å; F170-N301 WeakPolarHBondContact CZ-OD1 3.3Å; F170-D304 HydrophobicContact CE2-CB 4.46Å
171K91.1Very high90.1Very high129 Ų12962.2 Ų62.256%0.56130%0.297SS*.Hα-helixtrans-64.7-40.6175.2-73.6178.2179.7173.90112.4S166 H167 L174 L175S166-K171 WeakPolarHBondContact OG-CA 3.5Å; H167-K171 PolarHBondContact O-N 2.69Å; K171-L174 PolarHBondContact O-N 3.04Å; K171-L175 WeakPolarHBondContact O-CG 3.42Å; K171-L175 PolarHBondContact O-N 2.89Å; K171-L175 VanDerWaalsContact O-N 3.07Å
172E91.7Very high90.3Very high107 Ų10766.4 Ų66.450%0.532%0.318SS..Hα-helixtrans-64.7-42.5178.9-67.7176.317700111.4H106 I109 L174 L175 A176H106-E172 IonicContact CD2-OE2 3.53Å; I109-E172 HydrophobicContact CD1-CB 3.89Å; E172-L174 PolarHBondContact O-N 3.43Å; E172-L175 WeakPolarHBondContact O-CB 3.31Å; E172-L175 PolarHBondContact O-N 2.69Å; E172-L175 VanDerWaalsContact O-N 3.08Å; E172-A176 PolarHBondContact O-N 3.1Å
173H92.9Very high90.5Very high6 Ų661.9 Ų61.93%0.02829%0.294CS..Hα-helixtrans-55.8-48.7173.3-59.374.9000111.4I102 T140 F170 L175 A176 E177I102-H173 HydrophobicContact CD1-CB 4.28Å; I102-H173 PolarHBondContact O-CD2 3.12Å; I102-H173 PolarHBondContact O-NE2 3.4Å; T140-H173 HydrophobicContact CG2-CB 3.82Å; F170-H173 HydrophobicContact CB-CB 4.44Å; F170-H173 HydrophobicContact CD1-CB 4.28Å; F170-H173 AromaticContact CD1-CD2 3.89Å; F170-H173 AromaticContact CD1-CE1 3.71Å; F170-H173 AromaticContact CD1-CG 3.68Å; F170-H173 AromaticContact CD1-ND1 3.56Å; F170-H173 AromaticContact CD1-NE2 3.9Å; F170-H173 AromaticContact CE1-CE1 3.92Å; F170-H173 AromaticContact CE1-NE2 3.89Å; H173-L175 VanDerWaalsContact C-N 3.28Å; H173-L175 PolarHBondContact O-N 3.24Å; H173-A176 WeakPolarHBondContact O-CB 3.3Å; H173-A176 PolarHBondContact O-N 3.05Å; H173-E177 VanDerWaalsContact O-CG 3.3Å; H173-E177 WeakPolarHBondContact O-CG 3.44Å; H173-E177 PolarHBondContact O-N 3.25Å
174L92.3Very high90.5Very high17 Ų1751.9 Ų51.99%0.08926%0.257CS..Hα-helixtrans-61.2-35.6176.917862.4000112.9T140 R164 F170 K171 E172 K178T140-L174 HydrophobicContact CG2-CB 4.26Å; R164-L174 HydrophobicContact CG-CD1 3.81Å; R164-L174 VanDerWaalsContact CZ-CD1 3.43Å; F170-L174 PolarHBondContact O-N 3.28Å; K171-L174 PolarHBondContact O-N 3.04Å; E172-L174 PolarHBondContact O-N 3.43Å; L174-K178 WeakPolarHBondContact O-CG 3.37Å; L174-K178 PolarHBondContact O-N 2.93Å
175L93Very high90.3Very high109 Ų10957.7 Ų57.757%0.57128%0.282SS*.Hα-helixtrans-69-44.1175.3-68.6173.8000111K171 E172 H173 K178 S179K171-L175 WeakPolarHBondContact O-CG 3.42Å; K171-L175 PolarHBondContact O-N 2.89Å; K171-L175 VanDerWaalsContact O-N 3.07Å; E172-L175 WeakPolarHBondContact O-CB 3.31Å; E172-L175 PolarHBondContact O-N 2.69Å; E172-L175 VanDerWaalsContact O-N 3.08Å; H173-L175 VanDerWaalsContact C-N 3.28Å; H173-L175 PolarHBondContact O-N 3.24Å; L175-K178 PolarHBondContact O-N 3.11Å; L175-S179 PolarHBondContact O-N 2.99Å; L175-S179 PolarHBondContact O-OG 3.42Å
176A93.5Very high89.8Confident2 Ų256.2 Ų56.22%0.01729%0.285CS..Hα-helixtrans-58.8-48.4176.200000111.5I102 I109 L113 L134 E172 H173 K178 S179 V180I102-A176 HydrophobicContact CD1-CB 4.08Å; I109-A176 HydrophobicContact CG2-CB 3.64Å; L113-A176 HydrophobicContact CD1-CB 4.41Å; L113-A176 HydrophobicContact CD2-CB 4.49Å; L134-A176 HydrophobicContact CD2-CB 4.35Å; E172-A176 PolarHBondContact O-N 3.1Å; H173-A176 WeakPolarHBondContact O-CB 3.3Å; H173-A176 PolarHBondContact O-N 3.05Å; A176-K178 VanDerWaalsContact C-N 3.29Å; A176-K178 PolarHBondContact O-N 3.46Å; A176-S179 PolarHBondContact O-N 2.93Å; A176-S179 VanDerWaalsContact O-N 3.14Å; A176-V180 WeakPolarHBondContact O-CG2 3.46Å; A176-V180 PolarHBondContact O-N 3.24Å
177E93.6Very high89.3Confident0 Ų058.1 Ų58.10%029%0.294CS..Hα-helixtrans-54.5-44.7175.7-69.2175179.200111.9S136 T140 R164 H173 V181 V195S136-E177 WeakPolarHBondContact CB-OE1 3.46Å; S136-E177 PolarHBondContact OG-OE1 3.45Å; T140-E177 WeakPolarHBondContact CG2-OE1 3.34Å; T140-E177 PolarHBondContact OG1-OE1 3.41Å; T140-E177 PolarHBondContact OG1-OE2 2.72Å; R164-E177 IonicContact CZ-OE2 3.55Å; R164-E177 VanDerWaalsContact CZ-OE2 3.24Å; R164-E177 IonicContact NE-OE2 3.24Å; R164-E177 PolarHBondContact NE-OE2 2.9Å; R164-E177 IonicContact NH2-OE2 3.18Å; R164-E177 PolarHBondContact NH2-OE2 3.49Å; H173-E177 VanDerWaalsContact O-CG 3.3Å; H173-E177 WeakPolarHBondContact O-CG 3.44Å; H173-E177 PolarHBondContact O-N 3.25Å; E177-V181 VanDerWaalsContact O-CG2 3.31Å; E177-V181 WeakPolarHBondContact O-CG2 3.38Å; E177-V181 PolarHBondContact O-N 3.33Å; E177-V181 VanDerWaalsContact O-N 3.1Å; E177-V195 HydrophobicContact CB-CG1 4.13Å; E177-V195 HydrophobicContact CG-CG1 3.73Å
178K92.5Very high88.8Confident106 Ų10661.4 Ų61.446%0.46131%0.308SS..Hα-helixtrans-65.3-43.4178.6-75175.5-178.5179.40111.8L174 L175 A176 Q182L174-K178 WeakPolarHBondContact O-CG 3.37Å; L174-K178 PolarHBondContact O-N 2.93Å; L175-K178 PolarHBondContact O-N 3.11Å; A176-K178 VanDerWaalsContact C-N 3.29Å; A176-K178 PolarHBondContact O-N 3.46Å; K178-Q182 VanDerWaalsContact O-CB 3.27Å; K178-Q182 WeakPolarHBondContact O-CB 3.31Å; K178-Q182 PolarHBondContact O-N 3.38Å
179S92.4Very high88.4Confident41 Ų4164.9 Ų64.929%0.28732%0.321SS..Hα-helixtrans-60.8-48.4177.7-65.10000111.2L175 A176 V181 Q182 Q183L175-S179 PolarHBondContact O-N 2.99Å; L175-S179 PolarHBondContact O-OG 3.42Å; A176-S179 PolarHBondContact O-N 2.93Å; A176-S179 VanDerWaalsContact O-N 3.14Å; S179-V181 PolarHBondContact O-N 3.23Å; S179-Q182 PolarHBondContact O-N 2.92Å; S179-Q183 WeakPolarHBondContact O-CB 3.04Å; S179-Q183 VanDerWaalsContact O-CG 3.31Å; S179-Q183 WeakPolarHBondContact O-CG 3.29Å; S179-Q183 PolarHBondContact O-N 2.9Å
180V93.1Very high88.3Confident1 Ų163.4 Ų63.41%0.00631%0.311CS..Hα-helixtrans-59.2-50178.7174.10000111.1L113 L116 F132 L134 A176 Q182 Q183 G184 T193 V195L113-V180 HydrophobicContact CD2-CG2 4.18Å; L116-V180 HydrophobicContact CD2-CB 4.19Å; L116-V180 HydrophobicContact CD2-CG1 4.26Å; L116-V180 HydrophobicContact CD2-CG2 3.71Å; F132-V180 HydrophobicContact CD1-CG1 4.1Å; F132-V180 HydrophobicContact CE1-CG1 4.26Å; F132-V180 HydrophobicContact CE1-CG2 4.09Å; L134-V180 HydrophobicContact CB-CG1 4.41Å; L134-V180 HydrophobicContact CB-CG2 4.36Å; L134-V180 HydrophobicContact CD2-CB 4.39Å; L134-V180 HydrophobicContact CD2-CG2 3.74Å; A176-V180 WeakPolarHBondContact O-CG2 3.46Å; A176-V180 PolarHBondContact O-N 3.24Å; V180-Q182 VanDerWaalsContact C-N 3.29Å; V180-Q182 PolarHBondContact O-N 3.27Å; V180-Q183 PolarHBondContact O-N 3.12Å; V180-G184 PolarHBondContact O-N 3.25Å; V180-T193 HydrophobicContact CG1-CG2 4.28Å; V180-T193 PolarHBondContact O-OG1 2.79Å; V180-T193 VanDerWaalsContact O-OG1 3.09Å; V180-V195 HydrophobicContact CB-CG2 4.03Å; V180-V195 HydrophobicContact CG1-CG2 3.84Å
181V91.3Very high88.2Confident15 Ų1563.3 Ų63.39%0.09131%0.31CS..Hα-helixtrans-63.2-34.7178.6173.40000112.2E177 S179 V195E177-V181 VanDerWaalsContact O-CG2 3.31Å; E177-V181 WeakPolarHBondContact O-CG2 3.38Å; E177-V181 PolarHBondContact O-N 3.33Å; E177-V181 VanDerWaalsContact O-N 3.1Å; S179-V181 PolarHBondContact O-N 3.23Å; V181-V195 HydrophobicContact CG2-CB 4.33Å; V181-V195 HydrophobicContact CG2-CG2 3.68Å
182Q89.4Confident88.3Confident139 Ų13957.9 Ų57.965%0.6529%0.287SS*.Hα-helixtrans-71.6-45.5177.8-177.9173.4-0.600111.4K178 S179 V180 G184 K185K178-Q182 VanDerWaalsContact O-CB 3.27Å; K178-Q182 WeakPolarHBondContact O-CB 3.31Å; K178-Q182 PolarHBondContact O-N 3.38Å; S179-Q182 PolarHBondContact O-N 2.92Å; V180-Q182 VanDerWaalsContact C-N 3.29Å; V180-Q182 PolarHBondContact O-N 3.27Å; Q182-G184 VanDerWaalsContact C-N 3.34Å; Q182-G184 PolarHBondContact O-N 3.49Å; Q182-K185 WeakPolarHBondContact O-CB 3.31Å; Q182-K185 PolarHBondContact O-N 3.31Å; Q182-K185 VanDerWaalsContact O-N 3.17Å
183Q86.6Confident88.4Confident40 Ų4052.8 Ų52.819%0.18726%0.264CS..Hα-helixtrans-65.7-35.5-178.1-76.8-179-11.400112.3L116 D117 L120 S179 V180 K185 T186L116-Q183 HydrophobicContact CD2-CB 4.37Å; D117-Q183 PolarHBondContact OD1-NE2 2.81Å; L120-Q183 HydrophobicContact CD1-CB 3.81Å; L120-Q183 HydrophobicContact CD1-CG 3.78Å; S179-Q183 WeakPolarHBondContact O-CB 3.04Å; S179-Q183 VanDerWaalsContact O-CG 3.31Å; S179-Q183 WeakPolarHBondContact O-CG 3.29Å; S179-Q183 PolarHBondContact O-N 2.9Å; V180-Q183 PolarHBondContact O-N 3.12Å; Q183-K185 PolarHBondContact O-N 3.44Å; Q183-K185 VanDerWaalsContact O-N 3.16Å; Q183-T186 WeakPolarHBondContact O-CB 3.46Å; Q183-T186 PolarHBondContact O-N 2.94Å; Q183-T186 VanDerWaalsContact O-N 3.14Å; Q183-T186 PolarHBondContact O-OG1 3.4Å
184G84.4Confident88.5Confident2 Ų252.6 Ų52.62%0.02126%0.263CS..THydrogen-bonded Turntrans-64.8-12.8173.600000115.9V180 Q182 T186 T193V180-G184 PolarHBondContact O-N 3.25Å; Q182-G184 VanDerWaalsContact C-N 3.34Å; Q182-G184 PolarHBondContact O-N 3.49Å; G184-T186 VanDerWaalsContact C-N 3.31Å; G184-T193 WeakPolarHBondContact CA-OG1 3.26Å
185K82.6Confident88.6Confident140 Ų14051.8 Ų51.861%0.60926%0.259SS*.THydrogen-bonded Turntrans-78.6-16.2174.6-65.5176-175.8177.90113Q182 Q183Q182-K185 WeakPolarHBondContact O-CB 3.31Å; Q182-K185 PolarHBondContact O-N 3.31Å; Q182-K185 VanDerWaalsContact O-N 3.17Å; Q183-K185 PolarHBondContact O-N 3.44Å; Q183-K185 VanDerWaalsContact O-N 3.16Å
186T78.9Confident88.7Confident104 Ų10446.6 Ų46.664%0.63823%0.231SC*.SBendtrans-66.8-49.2-171.7-470000112.2Q183 G184Q183-T186 WeakPolarHBondContact O-CB 3.46Å; Q183-T186 PolarHBondContact O-N 2.94Å; Q183-T186 VanDerWaalsContact O-N 3.14Å; Q183-T186 PolarHBondContact O-OG1 3.4Å; G184-T186 VanDerWaalsContact C-N 3.31Å
187N78.3Confident88.8Confident56 Ų5646.5 Ų46.530%0.29923%0.231SC..  trans-149.984.2179.9-168-9.7000112.7L123 L189 K190 L191L123-N187 HydrophobicContact CD1-CB 4.33Å; N187-L189 PolarHBondContact O-N 2.97Å; N187-L189 VanDerWaalsContact O-N 3.11Å; N187-L189 PolarHBondContact OD1-N 3.03Å; N187-K190 PolarHBondContact O-N 3.33Å; N187-L191 PolarHBondContact O-N 2.86Å
188K80Confident88.8Confident105 Ų10546.5 Ų46.546%0.45723%0.231SC..THydrogen-bonded Turntrans-60.4-21.5-179.4-63.6-167.6176.2-152.30114.4Q129 K190 L192 H256Q129-K188 PolarHBondContact NE2-O 2.89Å; K188-K190 VanDerWaalsContact C-N 3.3Å; K188-L192 HydrophobicContact CB-CD2 4.35Å; K188-H256 PolarHBondContact NZ-NE2 2.87Å; K188-H256 VanDerWaalsContact NZ-NE2 3.2Å
189L80Confident88.8Confident146 Ų14641.5 Ų41.576%0.76421%0.209SC*.THydrogen-bonded Turntrans-71.9-28.1-179-64.5175.2000112.2N187N187-L189 PolarHBondContact O-N 2.97Å; N187-L189 VanDerWaalsContact O-N 3.11Å; N187-L189 PolarHBondContact OD1-N 3.03Å
190K85.4Confident88.8Confident61 Ų6139.6 Ų39.627%0.26520%0.196SC..THydrogen-bonded Turntrans-112.7-31.9-174.4-66.3-161170.4-168.80113.9L123 Q129 K130 N187 K188L123-K190 HydrophobicContact CB-CD 4.37Å; L123-K190 HydrophobicContact CD2-CB 4.14Å; L123-K190 WeakPolarHBondContact O-CD 3.2Å; L123-K190 PolarHBondContact O-NZ 3.47Å; Q129-K190 CarbonylContact C-O 3.48Å; Q129-K190 WeakPolarHBondContact CA-O 3.15Å; K130-K190 PolarHBondContact N-O 3.16Å; N187-K190 PolarHBondContact O-N 3.33Å; K188-K190 VanDerWaalsContact C-N 3.3Å
191L89.5Confident88.8Confident3 Ų339.6 Ų39.62%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-133.8125.9-179.8179.264.9000110L116 I119 L120 L123 K130 F132 N187 T193L116-L191 HydrophobicContact CD1-CD2 3.89Å; I119-L191 HydrophobicContact CG2-CD1 3.85Å; I119-L191 HydrophobicContact CG2-CD2 4.09Å; L120-L191 HydrophobicContact CD2-CD2 3.56Å; L120-L191 HydrophobicContact CG-CD2 4.13Å; L123-L191 HydrophobicContact CD2-CB 3.77Å; L123-L191 HydrophobicContact CD2-CD2 4.37Å; K130-L191 HydrophobicContact CB-CD1 4.14Å; K130-L191 WeakPolarHBondContact O-CA 3.39Å; F132-L191 HydrophobicContact CB-CD1 4.22Å; N187-L191 PolarHBondContact O-N 2.86Å; L191-T193 HydrophobicContact CD2-CG2 4.19Å; L191-T193 HydrophobicContact CG-CG2 4.13Å
192L92.3Very high88.9Confident15 Ų1538.9 Ų38.98%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-109.2131.8166.3-65.9172.6000108.6Q129 K130 I131 F132 K188 Y194 R252Q129-L192 HydrophobicContact CG-CG 4.48Å; K130-L192 PolarHBondContact O-N 3.06Å; I131-L192 CarbonylContact C-O 3.55Å; I131-L192 WeakPolarHBondContact CA-O 3.02Å; I131-L192 HydrophobicContact CG1-CB 4.14Å; I131-L192 HydrophobicContact CG1-CD1 4.39Å; F132-L192 PolarHBondContact N-O 2.91Å; K188-L192 HydrophobicContact CB-CD2 4.35Å; L192-Y194 HydrophobicContact CB-CE2 3.87Å; L192-R252 HydrophobicContact CD1-CB 4.17Å; L192-R252 HydrophobicContact CD1-CG 4.22Å
193T94Very high88.9Confident1 Ų132.2 Ų32.21%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-113.4136.5174.964.50000109.6L116 F132 V180 G184 L191 H256L116-T193 HydrophobicContact CD1-CG2 4.1Å; F132-T193 HydrophobicContact CB-CG2 4.34Å; F132-T193 CarbonylContact O-C 3.57Å; F132-T193 VanDerWaalsContact O-CA 3.25Å; F132-T193 WeakPolarHBondContact O-CA 3.37Å; V180-T193 HydrophobicContact CG1-CG2 4.28Å; V180-T193 PolarHBondContact O-OG1 2.79Å; V180-T193 VanDerWaalsContact O-OG1 3.09Å; G184-T193 WeakPolarHBondContact CA-OG1 3.26Å; L191-T193 HydrophobicContact CD2-CG2 4.19Å; L191-T193 HydrophobicContact CG-CG2 4.13Å; T193-H256 PolarHBondContact O-ND1 2.81Å
194Y95Very high88.9Confident2 Ų231.3 Ų31.31%0.00816%0.156CC..EExtended strand (participates in β ladder)trans-125.4144.5173.3-62.8-79.9000110.1I131 F132 I133 L134 L192 V248 R252 P253 H256 I258I131-Y194 HydrophobicContact CG2-CD2 3.83Å; I131-Y194 HydrophobicContact CG2-CE2 3.94Å; F132-Y194 PolarHBondContact O-N 3.05Å; I133-Y194 WeakPolarHBondContact CA-O 3.37Å; I133-Y194 HydrophobicContact CG1-CD2 4.47Å; L134-Y194 PolarHBondContact N-O 3.46Å; L192-Y194 HydrophobicContact CB-CE2 3.87Å; Y194-V248 HydrophobicContact CD1-CG1 3.98Å; Y194-V248 HydrophobicContact CD2-CG1 3.54Å; Y194-V248 HydrophobicContact CE1-CG1 4.41Å; Y194-V248 HydrophobicContact CE2-CG1 3.96Å; Y194-V248 HydrophobicContact CG-CG1 3.54Å; Y194-R252 VanDerWaalsContact OH-C 3.25Å; Y194-R252 WeakPolarHBondContact OH-CA 3.45Å; Y194-P253 HydrophobicContact CD1-CG 4.19Å; Y194-P253 HydrophobicContact CE1-CG 3.64Å; Y194-P253 WeakPolarHBondContact CE1-O 3.48Å; Y194-P253 PolarHBondContact OH-O 3.42Å; Y194-H256 CarbonylContact C-O 3.51Å; Y194-H256 WeakPolarHBondContact CA-O 3.38Å; Y194-H256 AromaticContact CE1-ND1 3.9Å; Y194-I258 HydrophobicContact CD1-CD1 4.49Å
195V95.1Very high88.7Confident0 Ų036.4 Ų36.40%018%0.177CC..EExtended strand (participates in β ladder)trans-116.2121.3169.2175.40000107.2L134 E177 V180 V181 H256 Y257 I258L134-V195 HydrophobicContact CB-CG2 4.39Å; L134-V195 HydrophobicContact CD2-CG2 4.48Å; L134-V195 CarbonylContact O-C 3.49Å; L134-V195 WeakPolarHBondContact O-CA 3.48Å; E177-V195 HydrophobicContact CB-CG1 4.13Å; E177-V195 HydrophobicContact CG-CG1 3.73Å; V180-V195 HydrophobicContact CB-CG2 4.03Å; V180-V195 HydrophobicContact CG1-CG2 3.84Å; V181-V195 HydrophobicContact CG2-CB 4.33Å; V181-V195 HydrophobicContact CG2-CG2 3.68Å; V195-H256 PolarHBondContact N-O 3.31Å; V195-Y257 HydrophobicContact CB-CD2 3.86Å; V195-Y257 HydrophobicContact CB-CE2 4.28Å; V195-Y257 HydrophobicContact CG1-CD2 3.74Å; V195-Y257 HydrophobicContact CG1-CE2 3.62Å; V195-Y257 WeakPolarHBondContact O-CA 3.42Å; V195-I258 PolarHBondContact O-N 3.36Å
196I95.3Very high88.5Confident0 Ų029.9 Ų29.90%015%0.149CC..EExtended strand (participates in β ladder)trans-109109.3176.3-60.9176.4000107.6I133 L134 I135 S136 C198 L241 L245 V248 I258 A260I133-I196 HydrophobicContact CG2-CD1 3.64Å; I133-I196 HydrophobicContact CG2-CG1 4.06Å; L134-I196 PolarHBondContact O-N 3.2Å; I135-I196 CarbonylContact C-O 3.47Å; I135-I196 WeakPolarHBondContact CA-O 3.5Å; S136-I196 PolarHBondContact N-O 2.94Å; I196-C198 PolarHBondContact O-N 3.17Å; I196-L241 HydrophobicContact CG2-CD1 4.17Å; I196-L245 HydrophobicContact CD1-CD2 3.45Å; I196-L245 VanDerWaalsContact CD1-CD2 3.45Å; I196-L245 HydrophobicContact CD1-CG 4.25Å; I196-V248 HydrophobicContact CD1-CG2 4.19Å; I196-I258 CarbonylContact C-O 3.55Å; I196-I258 VanDerWaalsContact CA-O 3.26Å; I196-I258 WeakPolarHBondContact CA-O 3.39Å; I196-A260 HydrophobicContact CG2-CB 3.61Å
197A94.4Very high88.8Confident0 Ų027.5 Ų27.50%013%0.133CC..EExtended strand (participates in β ladder)trans-87.7105.8172.100000108.7S136 Y257 I258 L259 A260S136-A197 WeakPolarHBondContact O-CA 3.25Å; A197-Y257 HydrophobicContact CB-CE1 4.09Å; A197-Y257 VanDerWaalsContact CB-OH 3.22Å; A197-Y257 WeakPolarHBondContact CB-OH 3.49Å; A197-I258 PolarHBondContact N-O 3.5Å; A197-L259 HydrophobicContact CB-CD1 4.46Å; A197-L259 WeakPolarHBondContact O-CA 3.4Å; A197-A260 PolarHBondContact O-N 2.92Å
198C93.8Very high89.3Confident0 Ų025.2 Ų25.20%012%0.12CC..EExtended strand (participates in β ladder)trans-95.6147.7-179.5570000112.3K103 I135 S136 V138 I196 I236 L241 A260K103-C198 VanDerWaalsContact CD-SG 3.54Å; I135-C198 VanDerWaalsContact CG2-SG 3.52Å; S136-C198 PolarHBondContact O-N 2.97Å; S136-C198 PolarHBondContact O-SG 3.31Å; V138-C198 WeakPolarHBondContact CG1-O 3.31Å; V138-C198 PolarHBondContact N-O 3.19Å; V138-C198 VanDerWaalsContact N-O 3.16Å; I196-C198 PolarHBondContact O-N 3.17Å; C198-I236 HydrophobicContact CB-CG2 4.16Å; C198-L241 HydrophobicContact CB-CD1 4.03Å; C198-L241 HydrophobicContact CB-CD2 4.43Å; C198-A260 CarbonylContact C-O 3.5Å; C198-A260 VanDerWaalsContact CA-O 3.3Å; C198-A260 WeakPolarHBondContact CA-O 3.17Å; C198-A260 HydrophobicContact CB-CB 4.18Å
199G92.7Very high89.8Confident1 Ų120.2 Ų20.21%0.0110%0.099CC..  trans-61.6-179.2163.100000111.9T201 P234 A260G199-T201 PolarHBondContact O-N 3.37Å; G199-P234 CarbonylContact C-O 3.6Å; G199-P234 VanDerWaalsContact CA-O 3.31Å; G199-P234 WeakPolarHBondContact CA-O 3.31Å; G199-A260 PolarHBondContact N-O 3.38Å
200L93.1Very high90.2Very high1 Ų115 Ų151%0.0057%0.07CC..EExtended strand (participates in β ladder)trans-61.2124.8171.6-84.370.2000109.2V208 F209 V233 P234 T235 I236 Q305 L306L200-V208 HydrophobicContact CD2-CB 4.41Å; L200-V208 HydrophobicContact CD2-CG1 4.08Å; L200-F209 HydrophobicContact CB-CE2 4.27Å; L200-F209 HydrophobicContact CB-CZ 4.35Å; L200-F209 HydrophobicContact CD2-CZ 4.11Å; L200-V233 HydrophobicContact CB-CG1 4.34Å; L200-V233 HydrophobicContact CD1-CG1 3.95Å; L200-V233 HydrophobicContact CD2-CG1 3.7Å; L200-V233 HydrophobicContact CG-CG1 4.21Å; L200-P234 PolarHBondContact N-O 3.44Å; L200-T235 HydrophobicContact CB-CG2 4.4Å; L200-T235 CarbonylContact O-C 3.58Å; L200-T235 VanDerWaalsContact O-CA 3.29Å; L200-T235 WeakPolarHBondContact O-CA 3.49Å; L200-I236 PolarHBondContact O-N 3.43Å; L200-Q305 HydrophobicContact CD1-CB 4.21Å; L200-Q305 HydrophobicContact CD2-CB 4.03Å; L200-Q305 HydrophobicContact CG-CB 4.16Å; L200-L306 HydrophobicContact CD2-CD2 4.47Å
201T93.7Very high90.4Very high0 Ų013.2 Ų13.20%06%0.063CC..EExtended strand (participates in β ladder)trans-77.1136.1179.447.10000110.5D18 K103 G199 I236 L238 L241D18-T201 WeakPolarHBondContact OD1-CB 3.41Å; D18-T201 PolarHBondContact OD1-OG1 3.14Å; D18-T201 PolarHBondContact OD2-OG1 2.71Å; K103-T201 PolarHBondContact NZ-OG1 2.84Å; G199-T201 PolarHBondContact O-N 3.37Å; T201-I236 VanDerWaalsContact CA-O 3.31Å; T201-I236 WeakPolarHBondContact CA-O 3.33Å; T201-I236 HydrophobicContact CG2-CG2 4.14Å; T201-L238 HydrophobicContact CG2-CD2 4.04Å; T201-L241 HydrophobicContact CG2-CD2 3.89Å
202Y93.5Very high90.4Very high0 Ų013.1 Ų13.10%06%0.062CC..EExtended strand (participates in β ladder)trans-134.4166.1172.167.1-89.4000111E206 T235 I236 H237 L238 D262 C327 G330 L331 I338Y202-E206 WeakPolarHBondContact CA-OE2 3.35Å; Y202-E206 WeakPolarHBondContact CB-OE2 3.41Å; Y202-T235 HydrophobicContact CD1-CG2 4.4Å; Y202-I236 VanDerWaalsContact CD1-C 3.49Å; Y202-I236 VanDerWaalsContact CD1-O 3.31Å; Y202-I236 WeakPolarHBondContact CD1-O 3.46Å; Y202-I236 PolarHBondContact N-O 3.24Å; Y202-I236 VanDerWaalsContact N-O 3.07Å; Y202-H237 HydrophobicContact CD2-CB 4.38Å; Y202-H237 AromaticContact CD2-CD2 3.67Å; Y202-H237 HydrophobicContact CE1-CB 4.37Å; Y202-H237 HydrophobicContact CE2-CB 3.79Å; Y202-H237 AromaticContact CE2-CD2 3.59Å; Y202-H237 WeakPolarHBondContact O-CA 3.49Å; Y202-H237 PolarHBondContact O-CD2 3.15Å; Y202-H237 VanDerWaalsContact O-CD2 3.29Å; Y202-L238 PolarHBondContact O-N 3.06Å; Y202-D262 PolarHBondContact OH-OD2 2.95Å; Y202-C327 HydrophobicContact CE2-CB 4.29Å; Y202-C327 WeakPolarHBondContact OH-CB 3.49Å; Y202-G330 WeakPolarHBondContact OH-CA 3.27Å; Y202-L331 HydrophobicContact CD2-CB 4.31Å; Y202-L331 HydrophobicContact CD2-CD1 3.73Å; Y202-L331 HydrophobicContact CD2-CG 4.47Å; Y202-L331 HydrophobicContact CE1-CB 4.27Å; Y202-L331 HydrophobicContact CE2-CB 4.04Å; Y202-L331 HydrophobicContact CE2-CD1 4.02Å; Y202-L331 HydrophobicContact CG-CD1 4.31Å; Y202-L331 PolarHBondContact OH-N 3.08Å; Y202-I338 HydrophobicContact CD2-CD1 3.99Å; Y202-I338 HydrophobicContact CD2-CG1 4.15Å; Y202-I338 HydrophobicContact CE2-CD1 3.96Å; Y202-I338 HydrophobicContact CE2-CG1 4.13Å
203G88.4Confident90.3Very high0 Ų012.4 Ų12.40%06%0.059CC..SBendtrans117.2166.8-177.900000114.1Y17 K205 E206 H237Y17-G203 PolarHBondContact OH-O 3.09Å; G203-K205 PolarHBondContact O-N 3.35Å; G203-K205 VanDerWaalsContact O-N 3.11Å; G203-E206 WeakPolarHBondContact CA-OE1 3.39Å; G203-E206 PolarHBondContact N-OE1 2.89Å; G203-E206 PolarHBondContact N-OE2 3.29Å; G203-E206 PolarHBondContact O-N 2.89Å; G203-E206 VanDerWaalsContact O-N 3.08Å; G203-H237 WeakPolarHBondContact CA-NE2 3.4Å
204E86.3Confident90.1Very high20 Ų2014.1 Ų14.19%0.0937%0.066CC..THydrogen-bonded Turntrans50.9-115.9175.7-62.6-74.4168.900112.8K24 F25 E206 R239 E341 Y342 S345K24-E204 IonicContact NZ-OE1 2.78Å; K24-E204 IonicContact NZ-OE2 3.24Å; F25-E204 HydrophobicContact CE2-CG 4.48Å; F25-E204 HydrophobicContact CZ-CG 3.82Å; F25-E204 WeakPolarHBondContact CZ-OE1 3.44Å; E204-E206 VanDerWaalsContact C-N 3.34Å; E204-E206 PolarHBondContact O-N 3.46Å; E204-R239 IonicContact OE1-NH2 3.3Å; E204-R239 PolarHBondContact OE1-NH2 3.49Å; E204-E341 PolarHBondContact N-OE2 2.8Å; E204-Y342 WeakPolarHBondContact O-CA 3.46Å; E204-Y342 PolarHBondContact O-N 3.23Å; E204-S345 PolarHBondContact O-OG 2.82Å
205K80.3Confident89.7Confident109 Ų10914.1 Ų14.147%0.4747%0.067SC..THydrogen-bonded Turntrans-78-11.7-176.9-69-177.9-179.2173.40114.9Y17 G203 Y342 S345 R346Y17-K205 HydrophobicContact CD2-CB 4.08Å; Y17-K205 HydrophobicContact CE2-CB 3.97Å; G203-K205 PolarHBondContact O-N 3.35Å; G203-K205 VanDerWaalsContact O-N 3.11Å; K205-Y342 WeakPolarHBondContact O-CD2 3.26Å; K205-Y342 VanDerWaalsContact O-CE2 3.31Å; K205-Y342 WeakPolarHBondContact O-CE2 3.48Å; K205-S345 VanDerWaalsContact CA-OG 3.27Å; K205-S345 WeakPolarHBondContact CA-OG 3.27Å; K205-S345 WeakPolarHBondContact CE-O 3.28Å; K205-S345 WeakPolarHBondContact CG-OG 3.19Å; K205-S345 PolarHBondContact N-OG 3.21Å; K205-R346 HydrophobicContact CB-CG 4.43Å; K205-R346 HydrophobicContact CG-CG 4.25Å; K205-R346 VanDerWaalsContact O-CZ 3.24Å; K205-R346 PolarHBondContact O-NE 3.02Å; K205-R346 PolarHBondContact O-NH2 2.86Å
206E79.5Confident89.4Confident3 Ų314.1 Ų14.11%0.0147%0.067CC..  trans57.5140.9-167.6-58.9-63.4155.200114.8Y202 G203 E204 H210 F213 I338 Y342 R346Y202-E206 WeakPolarHBondContact CA-OE2 3.35Å; Y202-E206 WeakPolarHBondContact CB-OE2 3.41Å; G203-E206 WeakPolarHBondContact CA-OE1 3.39Å; G203-E206 PolarHBondContact N-OE1 2.89Å; G203-E206 PolarHBondContact N-OE2 3.29Å; G203-E206 PolarHBondContact O-N 2.89Å; G203-E206 VanDerWaalsContact O-N 3.08Å; E204-E206 VanDerWaalsContact C-N 3.34Å; E204-E206 PolarHBondContact O-N 3.46Å; E206-H210 HydrophobicContact CB-CB 4.35Å; E206-F213 HydrophobicContact CB-CD2 4.43Å; E206-F213 HydrophobicContact CG-CD2 3.82Å; E206-F213 HydrophobicContact CG-CE2 3.77Å; E206-F213 HydrophobicContact CG-CZ 4.41Å; E206-I338 WeakPolarHBondContact OE1-CG2 3.42Å; E206-Y342 HydrophobicContact CB-CD2 3.95Å; E206-Y342 HydrophobicContact CB-CE2 4.01Å; E206-Y342 HydrophobicContact CG-CD2 3.55Å; E206-Y342 HydrophobicContact CG-CE2 4.06Å; E206-Y342 HydrophobicContact CG-CG 4.41Å; E206-R346 PolarHBondContact O-NH2 2.91Å
207N84.9Confident89Confident55 Ų5514.3 Ų14.329%0.2947%0.067SC..SBendtrans-105.9-91.4175.7-175-0.3000110Y17 D104 F209 H210Y17-N207 HydrophobicContact CD1-CB 3.47Å; Y17-N207 VanDerWaalsContact CD1-CB 3.47Å; Y17-N207 HydrophobicContact CE1-CB 3.51Å; Y17-N207 HydrophobicContact CG-CB 4.08Å; D104-N207 PolarHBondContact OD2-ND2 2.79Å; N207-F209 VanDerWaalsContact C-N 3.3Å; N207-F209 PolarHBondContact O-N 3.02Å; N207-H210 WeakPolarHBondContact O-CB 3.26Å; N207-H210 PolarHBondContact O-N 2.93Å; N207-H210 VanDerWaalsContact O-N 3.09Å
208V87.1Confident88.6Confident7 Ų716.3 Ų16.34%0.0428%0.078CC..THydrogen-bonded Turntrans-64-35-176-175.60000112L200 H210 A302 Q305 L306L200-V208 HydrophobicContact CD2-CB 4.41Å; L200-V208 HydrophobicContact CD2-CG1 4.08Å; V208-H210 VanDerWaalsContact C-N 3.28Å; V208-H210 PolarHBondContact O-N 2.87Å; V208-A302 HydrophobicContact CG1-CB 4.16Å; V208-Q305 HydrophobicContact CG1-CB 4.42Å; V208-L306 HydrophobicContact CG1-CD1 4.1Å; V208-L306 HydrophobicContact CG1-CD2 3.62Å; V208-L306 HydrophobicContact CG1-CG 3.53Å
209F90.6Very high88Confident0 Ų019 Ų190%09%0.093CC..THydrogen-bonded Turntrans-78.7-8.4179.1-60.8-65.3000114L200 N207 H211 F212 F213 T235 I271 L306 L331L200-F209 HydrophobicContact CB-CE2 4.27Å; L200-F209 HydrophobicContact CB-CZ 4.35Å; L200-F209 HydrophobicContact CD2-CZ 4.11Å; N207-F209 VanDerWaalsContact C-N 3.3Å; N207-F209 PolarHBondContact O-N 3.02Å; F209-H211 PolarHBondContact O-N 2.85Å; F209-H211 VanDerWaalsContact O-N 3.14Å; F209-F212 HydrophobicContact CD1-CD2 4.05Å; F209-F212 HydrophobicContact CD1-CE2 4.2Å; F209-F212 PolarHBondContact O-N 2.98Å; F209-F213 HydrophobicContact CB-CD2 4.06Å; F209-F213 HydrophobicContact CB-CE2 4.02Å; F209-F213 WeakPolarHBondContact O-CD2 3.3Å; F209-F213 PolarHBondContact O-N 3.4Å; F209-T235 HydrophobicContact CE2-CG2 4.22Å; F209-T235 HydrophobicContact CZ-CG2 3.93Å; F209-I271 HydrophobicContact CD1-CG2 4.29Å; F209-I271 HydrophobicContact CE1-CG2 3.94Å; F209-L306 HydrophobicContact CD1-CD2 4.45Å; F209-L306 HydrophobicContact CE1-CD2 4.21Å; F209-L331 HydrophobicContact CE2-CD2 4.48Å
210H89.9Confident87.5Confident37 Ų3722.5 Ų22.517%0.17111%0.108CC..Hα-helixtrans-53.1-40.3-176.5171.744.1000112.7E206 N207 V208 F212 F213 K214 Y342 R346 Y686E206-H210 HydrophobicContact CB-CB 4.35Å; N207-H210 WeakPolarHBondContact O-CB 3.26Å; N207-H210 PolarHBondContact O-N 2.93Å; N207-H210 VanDerWaalsContact O-N 3.09Å; V208-H210 VanDerWaalsContact C-N 3.28Å; V208-H210 PolarHBondContact O-N 2.87Å; H210-F212 VanDerWaalsContact C-N 3.32Å; H210-F212 PolarHBondContact O-N 3.07Å; H210-F213 PolarHBondContact O-N 2.84Å; H210-K214 VanDerWaalsContact O-CB 3.27Å; H210-K214 WeakPolarHBondContact O-CB 3.31Å; H210-K214 PolarHBondContact O-N 3.42Å; H210-Y342 PolarHBondContact CE1-OH 3.31Å; H210-Y342 AromaticContact ND1-CE2 3.9Å; H210-Y342 AromaticContact ND1-CZ 3.84Å; H210-Y342 PolarHBondContact ND1-OH 3.31Å; H210-R346 PolarHBondContact CE1-NH1 2.94Å; H210-R346 PolarHBondContact ND1-NH1 2.81Å; H210-R346 PolarHBondContact ND1-NH2 3.41Å; H210-R346 VanDerWaalsContact ND1-NH2 3.19Å; H210-R346 PolarHBondContact NE2-NH1 3.09Å; H210-R346 VanDerWaalsContact NE2-NH1 3.19Å; H210-Y686 AromaticContact CE1-CZ 3.9Å; H210-Y686 PolarHBondContact CE1-OH 3.5Å; H210-Y686 VanDerWaalsContact CE1-OH 3.31Å
211H87.9Confident86.8Confident24 Ų2428.8 Ų28.811%0.11114%0.138CC..Hα-helixtrans-55.5-46.3178.9175.769.3000111.9F209 K214 A215 D297 I298F209-H211 PolarHBondContact O-N 2.85Å; F209-H211 VanDerWaalsContact O-N 3.14Å; H211-K214 PolarHBondContact O-N 3.06Å; H211-A215 WeakPolarHBondContact O-CB 3.31Å; H211-A215 PolarHBondContact O-N 3.2Å; H211-D297 IonicContact ND1-OD2 2.67Å; H211-I298 HydrophobicContact CB-CG1 4.28Å
212F90.8Very high86.5Confident0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-69.1-42.7180-52.4-60.9000112F209 H210 K214 A215 A216 V223 Q224 L268 V272 I275 L306F209-F212 HydrophobicContact CD1-CD2 4.05Å; F209-F212 HydrophobicContact CD1-CE2 4.2Å; F209-F212 PolarHBondContact O-N 2.98Å; H210-F212 VanDerWaalsContact C-N 3.32Å; H210-F212 PolarHBondContact O-N 3.07Å; F212-K214 VanDerWaalsContact C-N 3.3Å; F212-K214 PolarHBondContact O-N 2.67Å; F212-A215 PolarHBondContact O-N 2.93Å; F212-A216 VanDerWaalsContact O-CB 3.27Å; F212-A216 WeakPolarHBondContact O-CB 3.35Å; F212-A216 PolarHBondContact O-N 3.27Å; F212-V223 HydrophobicContact CB-CG1 4.23Å; F212-V223 HydrophobicContact CD1-CG1 3.87Å; F212-Q224 VanDerWaalsContact CE1-O 3.29Å; F212-Q224 WeakPolarHBondContact CE1-O 3.41Å; F212-L268 HydrophobicContact CE2-CD1 4.3Å; F212-L268 HydrophobicContact CZ-CD1 4.44Å; F212-V272 HydrophobicContact CD1-CG1 4.1Å; F212-V272 HydrophobicContact CD1-CG2 3.96Å; F212-V272 HydrophobicContact CD2-CG2 3.91Å; F212-V272 HydrophobicContact CE1-CG2 4Å; F212-V272 HydrophobicContact CE2-CG2 3.94Å; F212-V272 HydrophobicContact CG-CG1 4.4Å; F212-V272 HydrophobicContact CG-CG2 3.92Å; F212-V272 HydrophobicContact CZ-CG2 3.98Å; F212-I275 HydrophobicContact CB-CD1 4.24Å; F212-I275 HydrophobicContact CB-CG2 4.44Å; F212-L306 HydrophobicContact CE2-CD1 4.02Å; F212-L306 HydrophobicContact CE2-CD2 3.71Å; F212-L306 HydrophobicContact CZ-CD1 3.88Å; F212-L306 HydrophobicContact CZ-CD2 4.17Å
213F91Very high86.2Confident0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-62.9-37.1175.5-81.5-86.3000112.2E206 F209 H210 W217 I275 M279 I335 I338 Y342E206-F213 HydrophobicContact CB-CD2 4.43Å; E206-F213 HydrophobicContact CG-CD2 3.82Å; E206-F213 HydrophobicContact CG-CE2 3.77Å; E206-F213 HydrophobicContact CG-CZ 4.41Å; F209-F213 HydrophobicContact CB-CD2 4.06Å; F209-F213 HydrophobicContact CB-CE2 4.02Å; F209-F213 WeakPolarHBondContact O-CD2 3.3Å; F209-F213 PolarHBondContact O-N 3.4Å; H210-F213 PolarHBondContact O-N 2.84Å; F213-W217 VanDerWaalsContact O-CB 3.28Å; F213-W217 WeakPolarHBondContact O-CB 3.29Å; F213-W217 PolarHBondContact O-N 3.39Å; F213-I275 HydrophobicContact CD1-CG2 4.09Å; F213-I275 HydrophobicContact CD2-CD1 4.13Å; F213-I275 HydrophobicContact CD2-CG2 4.38Å; F213-I275 HydrophobicContact CE1-CG1 4.41Å; F213-I275 HydrophobicContact CE1-CG2 4.24Å; F213-I275 HydrophobicContact CE2-CD1 3.71Å; F213-I275 HydrophobicContact CE2-CG1 4Å; F213-I275 HydrophobicContact CG-CG2 4.14Å; F213-I275 HydrophobicContact CZ-CD1 4.15Å; F213-I275 HydrophobicContact CZ-CG1 3.91Å; F213-I275 HydrophobicContact CZ-CG2 4.46Å; F213-M279 HydrophobicContact CD1-SD 3.51Å; F213-M279 VanDerWaalsContact CD1-SD 3.51Å; F213-M279 HydrophobicContact CE1-SD 4.15Å; F213-M279 HydrophobicContact CG-SD 4.44Å; F213-I335 HydrophobicContact CZ-CD1 4.31Å; F213-I338 HydrophobicContact CZ-CG2 3.92Å; F213-Y342 HydrophobicContact CB-CD1 4.1Å; F213-Y342 HydrophobicContact CB-CD2 4.38Å; F213-Y342 HydrophobicContact CB-CE1 3.56Å; F213-Y342 HydrophobicContact CB-CE2 3.87Å; F213-Y342 HydrophobicContact CB-CG 4.45Å; F213-Y342 WeakPolarHBondContact CB-OH 3.44Å; F213-Y342 AromaticContact CD1-CD1 3.84Å; F213-Y342 HydrophobicContact CD1-CD1 3.84Å; F213-Y342 HydrophobicContact CD1-CD2 4.48Å; F213-Y342 HydrophobicContact CD1-CE1 4.17Å; F213-Y342 AromaticContact CD1-CG 3.98Å; F213-Y342 HydrophobicContact CD1-CG 3.98Å; F213-Y342 HydrophobicContact CG-CD1 4.23Å; F213-Y342 HydrophobicContact CG-CD2 4.34Å; F213-Y342 HydrophobicContact CG-CE1 4.19Å; F213-Y342 HydrophobicContact CG-CE2 4.28Å; F213-Y342 HydrophobicContact CG-CG 4.28Å
214K88.8Confident86.2Confident37 Ų3735.4 Ų35.416%0.16117%0.168CC..Hα-helixtrans-68.1-46.6176.5-176.3-175174.7-1670111.5H210 H211 F212 A216 W217 N218 D297 Y686H210-K214 VanDerWaalsContact O-CB 3.27Å; H210-K214 WeakPolarHBondContact O-CB 3.31Å; H210-K214 PolarHBondContact O-N 3.42Å; H211-K214 PolarHBondContact O-N 3.06Å; F212-K214 VanDerWaalsContact C-N 3.3Å; F212-K214 PolarHBondContact O-N 2.67Å; K214-A216 VanDerWaalsContact C-N 3.34Å; K214-A216 PolarHBondContact O-N 3.18Å; K214-W217 PolarHBondContact O-N 3.26Å; K214-N218 PolarHBondContact O-N 3.09Å; K214-N218 PolarHBondContact O-ND2 2.95Å; K214-D297 VanDerWaalsContact NZ-CG 3.27Å; K214-D297 IonicContact NZ-OD1 3.41Å; K214-D297 PolarHBondContact NZ-OD1 3Å; K214-D297 IonicContact NZ-OD2 3.75Å; K214-D297 PolarHBondContact NZ-OD2 3.1Å; K214-Y686 HydrophobicContact CG-CD1 4.48Å; K214-Y686 HydrophobicContact CG-CD2 4.23Å; K214-Y686 HydrophobicContact CG-CE1 4.41Å; K214-Y686 HydrophobicContact CG-CE2 4.17Å; K214-Y686 HydrophobicContact CG-CG 4.4Å
215A87.3Confident86.3Confident3 Ų334.5 Ų34.53%0.02516%0.164CC..Hα-helixtrans-59.8-45.1175.400000111.4H211 F212 W217 N218 N219 E220 V223H211-A215 WeakPolarHBondContact O-CB 3.31Å; H211-A215 PolarHBondContact O-N 3.2Å; F212-A215 PolarHBondContact O-N 2.93Å; A215-W217 PolarHBondContact O-N 2.87Å; A215-N218 PolarHBondContact O-N 3.35Å; A215-N219 PolarHBondContact O-N 3.15Å; A215-E220 HydrophobicContact CB-CG 4.5Å; A215-E220 PolarHBondContact O-N 3Å; A215-V223 HydrophobicContact CB-CG1 4.48Å
216A88.4Confident86.6Confident0 Ų029.4 Ų29.40%014%0.141CC..Hα-helixtrans-65.4-38.4177.400000112.4F212 K214 N219 V223 I275 M279 T280F212-A216 VanDerWaalsContact O-CB 3.27Å; F212-A216 WeakPolarHBondContact O-CB 3.35Å; F212-A216 PolarHBondContact O-N 3.27Å; K214-A216 VanDerWaalsContact C-N 3.34Å; K214-A216 PolarHBondContact O-N 3.18Å; A216-N219 PolarHBondContact O-N 2.93Å; A216-N219 VanDerWaalsContact O-N 3.1Å; A216-V223 HydrophobicContact CB-CG2 4.3Å; A216-I275 HydrophobicContact CB-CG2 4.19Å; A216-M279 HydrophobicContact CB-CB 3.78Å; A216-M279 HydrophobicContact CB-SD 4.23Å; A216-T280 HydrophobicContact CB-CG2 3.95Å
217W87.5Confident86.9Confident4 Ų433.7 Ų33.72%0.01516%0.161CC..Hα-helixtrans-64.8-38.5174.5-179.8-86.7000113.2F213 K214 A215 N219 M279 K343 L348 N458 Q459 N685 Y686F213-W217 VanDerWaalsContact O-CB 3.28Å; F213-W217 WeakPolarHBondContact O-CB 3.29Å; F213-W217 PolarHBondContact O-N 3.39Å; K214-W217 PolarHBondContact O-N 3.26Å; A215-W217 PolarHBondContact O-N 2.87Å; W217-N219 PolarHBondContact O-N 2.9Å; W217-M279 HydrophobicContact CB-CE 3.73Å; W217-M279 HydrophobicContact CD2-CE 4.34Å; W217-M279 HydrophobicContact CE3-CE 3.61Å; W217-M279 HydrophobicContact CG-CE 4.44Å; W217-K343 HydrophobicContact CZ3-CD 4.19Å; W217-K343 HydrophobicContact CZ3-CG 3.92Å; W217-L348 HydrophobicContact CD2-CD1 4.16Å; W217-L348 HydrophobicContact CE3-CB 4.49Å; W217-L348 HydrophobicContact CE3-CD1 4.26Å; W217-L348 HydrophobicContact CH2-CB 3.61Å; W217-L348 WeakPolarHBondContact CH2-O 3.29Å; W217-L348 HydrophobicContact CZ2-CB 3.84Å; W217-L348 HydrophobicContact CZ2-CD2 4.22Å; W217-L348 HydrophobicContact CZ2-CG 4.46Å; W217-L348 HydrophobicContact CZ3-CB 3.97Å; W217-N458 HydrophobicContact CE3-CB 4.13Å; W217-N458 HydrophobicContact CH2-CB 4.33Å; W217-N458 WeakPolarHBondContact CH2-O 3.37Å; W217-N458 HydrophobicContact CZ3-CB 3.85Å; W217-Q459 HydrophobicContact CZ2-CB 4.49Å; W217-Q459 HydrophobicContact CZ2-CG 4.02Å; W217-Q459 PolarHBondContact O-NE2 3.01Å; W217-N685 PolarHBondContact NE1-OD1 2.87Å; W217-Y686 HydrophobicContact CB-CE2 4.42Å; W217-Y686 AromaticContact CD1-CD2 3.57Å; W217-Y686 HydrophobicContact CG-CD2 4.19Å; W217-Y686 HydrophobicContact CG-CE2 4.19Å
218N84.4Confident87Confident42 Ų4234.7 Ų34.723%0.22517%0.167CC..THydrogen-bonded Turntrans-71.4-2174.6-72.1-25.5000113K214 A215 E220K214-N218 PolarHBondContact O-N 3.09Å; K214-N218 PolarHBondContact O-ND2 2.95Å; A215-N218 PolarHBondContact O-N 3.35Å; N218-E220 VanDerWaalsContact C-N 3.29Å; N218-E220 HydrophobicContact CB-CG 4.48Å; N218-E220 PolarHBondContact O-N 3.45Å
219N82.3Confident87Confident57 Ų5734.4 Ų34.431%0.30517%0.165SC..THydrogen-bonded Turntrans57.642.1179.3-161.350.9000112.4A215 A216 W217 T280 T455A215-N219 PolarHBondContact O-N 3.15Å; A216-N219 PolarHBondContact O-N 2.93Å; A216-N219 VanDerWaalsContact O-N 3.1Å; W217-N219 PolarHBondContact O-N 2.9Å; N219-T280 PolarHBondContact OD1-OG1 2.79Å; N219-T455 PolarHBondContact ND2-OG1 3.15Å
220E81.4Confident87Confident73 Ų7338.8 Ų38.834%0.34119%0.188SC..  trans-59138.4171-69.5-177.1-159.700110.1A215 N218 F222A215-E220 HydrophobicContact CB-CG 4.5Å; A215-E220 PolarHBondContact O-N 3Å; N218-E220 VanDerWaalsContact C-N 3.29Å; N218-E220 HydrophobicContact CB-CG 4.48Å; N218-E220 PolarHBondContact O-N 3.45Å; E220-F222 PolarHBondContact O-N 3.26Å
221E79.7Confident87Confident134 Ų13437.8 Ų37.863%0.62618%0.184SC*.SBendtrans-59-35.6-177.5-169.7178.9-175.300111.6T281E221-T281 PolarHBondContact O-OG1 2.9Å
222F86.1Confident87.2Confident75 Ų7537.3 Ų37.333%0.32918%0.183SC..SBendtrans-133.6124.3177.4-53.5-85.1000110.1E220 Q224 Q283 K285E220-F222 PolarHBondContact O-N 3.26Å; F222-Q224 PolarHBondContact O-N 3.47Å; F222-Q283 HydrophobicContact CD1-CB 3.82Å; F222-Q283 HydrophobicContact CE1-CB 4.12Å; F222-K285 HydrophobicContact CB-CB 3.73Å; F222-K285 HydrophobicContact CD1-CB 4.48Å; F222-K285 HydrophobicContact CG-CB 4.23Å
223V87.2Confident87.3Confident0 Ų037.3 Ų37.30%018%0.183CC..EExtended strand (participates in β ladder)trans-75.4125167.8-175.90000108.3F212 A215 A216 V272 T280 Q283 I284 K285F212-V223 HydrophobicContact CB-CG1 4.23Å; F212-V223 HydrophobicContact CD1-CG1 3.87Å; A215-V223 HydrophobicContact CB-CG1 4.48Å; A216-V223 HydrophobicContact CB-CG2 4.3Å; V223-V272 HydrophobicContact CB-CG1 4.12Å; V223-V272 HydrophobicContact CG1-CG1 3.54Å; V223-T280 HydrophobicContact CG2-CG2 4.16Å; V223-Q283 PolarHBondContact N-O 2.89Å; V223-Q283 VanDerWaalsContact N-O 3.13Å; V223-I284 WeakPolarHBondContact O-CA 3.33Å; V223-K285 PolarHBondContact O-N 3.19Å
224Q88.2Confident87.5Confident64 Ų6437.3 Ų37.330%0.29918%0.183SC..EExtended strand (participates in β ladder)trans-83.9129.5-174.6-58.2178.924.800110.4F212 F222 K285 I287F212-Q224 VanDerWaalsContact CE1-O 3.29Å; F212-Q224 WeakPolarHBondContact CE1-O 3.41Å; F222-Q224 PolarHBondContact O-N 3.47Å; Q224-K285 CarbonylContact C-O 3.54Å; Q224-K285 VanDerWaalsContact CA-O 3.3Å; Q224-K285 WeakPolarHBondContact CA-O 3.15Å; Q224-I287 HydrophobicContact CB-CD1 3.92Å; Q224-I287 HydrophobicContact CB-CG1 4.22Å; Q224-I287 HydrophobicContact CB-CG2 4.14Å; Q224-I287 HydrophobicContact CG-CG2 4.29Å
225I90.1Very high87.7Confident1 Ų135.6 Ų35.61%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-114.1133.1177.5-63.3-178.3000109.5E227 L268 V272 I284 K285 S286 I287I225-E227 PolarHBondContact O-N 3.22Å; I225-L268 HydrophobicContact CG2-CD2 3.87Å; I225-L268 HydrophobicContact CG2-CG 4.12Å; I225-V272 HydrophobicContact CD1-CB 3.43Å; I225-V272 VanDerWaalsContact CD1-CB 3.43Å; I225-V272 HydrophobicContact CD1-CG1 3.56Å; I225-V272 HydrophobicContact CD1-CG2 3.95Å; I225-V272 HydrophobicContact CG1-CB 3.84Å; I225-V272 HydrophobicContact CG1-CG1 3.55Å; I225-V272 HydrophobicContact CG1-CG2 4.01Å; I225-I284 HydrophobicContact CB-CG2 4.29Å; I225-I284 HydrophobicContact CD1-CB 4.39Å; I225-I284 HydrophobicContact CD1-CD1 4.02Å; I225-I284 HydrophobicContact CD1-CG1 4.33Å; I225-I284 HydrophobicContact CD1-CG2 3.21Å; I225-I284 HydrophobicContact CG1-CG2 3.59Å; I225-K285 PolarHBondContact N-O 3.43Å; I225-S286 WeakPolarHBondContact O-CA 3.2Å; I225-I287 VanDerWaalsContact O-CG1 3.27Å; I225-I287 WeakPolarHBondContact O-CG1 3.15Å; I225-I287 PolarHBondContact O-N 2.95Å
226P86.2Confident88.1Confident1 Ų135.4 Ų35.41%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-58.1128.6168.9-25.135.3000112.7A292 M303 L307P226-A292 HydrophobicContact CB-CB 4.37Å; P226-A292 HydrophobicContact CG-CB 4.21Å; P226-M303 HydrophobicContact CB-CE 3.83Å; P226-M303 HydrophobicContact CB-SD 4.43Å; P226-M303 HydrophobicContact CG-CE 4.04Å; P226-M303 HydrophobicContact CG-SD 3.97Å; P226-L307 HydrophobicContact CB-CD2 4.15Å
227E86.1Confident88.4Confident93 Ų9335.4 Ų35.444%0.43517%0.174SC..THydrogen-bonded Turntrans57.2-143.4-179.6-55.8-174.3175.300112.1I225 S286 I287 L307I225-E227 PolarHBondContact O-N 3.22Å; E227-S286 WeakPolarHBondContact O-CB 3.16Å; E227-I287 WeakPolarHBondContact CA-O 3.45Å; E227-I287 PolarHBondContact N-O 3.46Å; E227-L307 HydrophobicContact CB-CD2 4.47Å; E227-L307 HydrophobicContact CG-CD2 4.03Å
228D86.8Confident88.6Confident77 Ų7735.2 Ų35.241%0.41217%0.173SC..THydrogen-bonded Turntrans-87.5-13.5179.766.1-1.6000113.4N230 R269D228-N230 PolarHBondContact O-N 3.37Å; D228-N230 PolarHBondContact OD1-N 3.44Å; D228-N230 VanDerWaalsContact OD1-N 3.09Å; D228-N230 PolarHBondContact OD2-ND2 2.88Å; D228-R269 VanDerWaalsContact O-CZ 3.26Å; D228-R269 PolarHBondContact O-NE 3.49Å; D228-R269 PolarHBondContact O-NH2 3.4Å
229G86.6Confident88.9Confident0 Ų037.4 Ų37.40%018%0.178CC..  trans67.616.8-178.200000114.5N231 L268 R269G229-N231 PolarHBondContact O-N 3.2Å; G229-L268 PolarHBondContact O-N 3.01Å; G229-R269 VanDerWaalsContact O-CB 3.27Å; G229-R269 WeakPolarHBondContact O-CB 3.29Å; G229-R269 PolarHBondContact O-N 3.15Å
230N90.3Very high89.5Confident92 Ų9234.7 Ų34.749%0.49216%0.164SC..  trans-81.60.4-179.5-68.1-30.3000113.1D228D228-N230 PolarHBondContact O-N 3.37Å; D228-N230 PolarHBondContact OD1-N 3.44Å; D228-N230 VanDerWaalsContact OD1-N 3.09Å; D228-N230 PolarHBondContact OD2-ND2 2.88Å
231N91.1Very high90.1Very high16 Ų1631.2 Ų31.29%0.08615%0.148CC..SBendtrans-73.514017762.8-70000111.3G229 V233 T267 L268 L306 V308G229-N231 PolarHBondContact O-N 3.2Å; N231-V233 VanDerWaalsContact ND2-CG2 3.29Å; N231-V233 WeakPolarHBondContact ND2-CG2 3.43Å; N231-T267 CarbonylContact O-C 3.56Å; N231-T267 VanDerWaalsContact O-CA 3.26Å; N231-T267 WeakPolarHBondContact O-CA 3.42Å; N231-L268 PolarHBondContact O-N 2.71Å; N231-L306 PolarHBondContact ND2-O 3.06Å; N231-V308 WeakPolarHBondContact CB-O 3.41Å; N231-V308 PolarHBondContact ND2-O 2.75Å
232I92.2Very high90.7Very high15 Ų1524.9 Ų24.98%0.07712%0.118CC..BIsolated β-bridgetrans-89.2120.2179-64.4167.9000109P234 T267 V308 S309 L310 R311I232-P234 WeakPolarHBondContact O-CD 3.47Å; I232-T267 HydrophobicContact CG1-CG2 4.28Å; I232-V308 VanDerWaalsContact O-O 3.07Å; I232-S309 WeakPolarHBondContact O-CA 3.35Å; I232-L310 PolarHBondContact O-N 3.19Å; I232-R311 HydrophobicContact CD1-CG 3.59Å; I232-R311 HydrophobicContact CG2-CG 4.33Å
233V92.9Very high91Very high0 Ų022.5 Ų22.50%011%0.11CC..  trans-105.8112.2-173.5-179.20000108.7L200 N231 T235 N266 L268 I271L200-V233 HydrophobicContact CB-CG1 4.34Å; L200-V233 HydrophobicContact CD1-CG1 3.95Å; L200-V233 HydrophobicContact CD2-CG1 3.7Å; L200-V233 HydrophobicContact CG-CG1 4.21Å; N231-V233 VanDerWaalsContact ND2-CG2 3.29Å; N231-V233 WeakPolarHBondContact ND2-CG2 3.43Å; V233-T235 HydrophobicContact CG1-CG2 4.14Å; V233-T235 PolarHBondContact O-N 3.07Å; V233-N266 PolarHBondContact N-O 2.86Å; V233-L268 HydrophobicContact CG2-CB 3.96Å; V233-I271 HydrophobicContact CB-CD1 4.32Å
234P93.3Very high91.2Very high0 Ų022.5 Ų22.50%011%0.11CC..  trans-65.2126.2171.4-18.931.2000110.2V138 G199 L200 I232 K261 V308 L310 M312V138-P234 HydrophobicContact CG2-CB 4.46Å; V138-P234 HydrophobicContact CG2-CG 4.36Å; G199-P234 CarbonylContact C-O 3.6Å; G199-P234 VanDerWaalsContact CA-O 3.31Å; G199-P234 WeakPolarHBondContact CA-O 3.31Å; L200-P234 PolarHBondContact N-O 3.44Å; I232-P234 WeakPolarHBondContact O-CD 3.47Å; P234-K261 HydrophobicContact CB-CD 3.91Å; P234-K261 HydrophobicContact CB-CG 3.87Å; P234-V308 HydrophobicContact CG-CG1 4.38Å; P234-L310 HydrophobicContact CG-CB 3.99Å; P234-L310 WeakPolarHBondContact CG-O 3.31Å; P234-M312 HydrophobicContact CG-CG 4.24Å; P234-M312 HydrophobicContact CG-SD 4.23Å
235T94.5Very high91.5Very high0 Ų019.4 Ų19.40%010%0.096CC..EExtended strand (participates in β ladder)trans-121160.5-179.649.60000111.9L200 Y202 F209 V233 K261 D262 S264 I271L200-T235 HydrophobicContact CB-CG2 4.4Å; L200-T235 CarbonylContact O-C 3.58Å; L200-T235 VanDerWaalsContact O-CA 3.29Å; L200-T235 WeakPolarHBondContact O-CA 3.49Å; Y202-T235 HydrophobicContact CD1-CG2 4.4Å; F209-T235 HydrophobicContact CE2-CG2 4.22Å; F209-T235 HydrophobicContact CZ-CG2 3.93Å; V233-T235 HydrophobicContact CG1-CG2 4.14Å; V233-T235 PolarHBondContact O-N 3.07Å; T235-K261 WeakPolarHBondContact O-CA 3.45Å; T235-K261 VanDerWaalsContact O-CG 3.3Å; T235-K261 WeakPolarHBondContact O-CG 3.32Å; T235-D262 VanDerWaalsContact C-OD2 3.23Å; T235-D262 WeakPolarHBondContact CB-OD2 3.38Å; T235-D262 PolarHBondContact O-N 3.14Å; T235-D262 VanDerWaalsContact O-OD2 3.1Å; T235-D262 PolarHBondContact OG1-OD1 2.86Å; T235-D262 PolarHBondContact OG1-OD2 2.75Å; T235-S264 PolarHBondContact OG1-OG 2.99Å; T235-I271 HydrophobicContact CG2-CD1 4.22Å
236I94.3Very high91.5Very high0 Ų019.8 Ų19.80%010%0.098CC..EExtended strand (participates in β ladder)trans-153.9137.9169.1-172.8167.1000110.5C198 L200 T201 Y202 D240 L241 I244 A260C198-I236 HydrophobicContact CB-CG2 4.16Å; L200-I236 PolarHBondContact O-N 3.43Å; T201-I236 VanDerWaalsContact CA-O 3.31Å; T201-I236 WeakPolarHBondContact CA-O 3.33Å; T201-I236 HydrophobicContact CG2-CG2 4.14Å; Y202-I236 VanDerWaalsContact CD1-C 3.49Å; Y202-I236 VanDerWaalsContact CD1-O 3.31Å; Y202-I236 WeakPolarHBondContact CD1-O 3.46Å; Y202-I236 PolarHBondContact N-O 3.24Å; Y202-I236 VanDerWaalsContact N-O 3.07Å; I236-D240 HydrophobicContact CD1-CB 4.48Å; I236-D240 HydrophobicContact CG1-CB 4.18Å; I236-L241 HydrophobicContact CD1-CB 3.98Å; I236-L241 HydrophobicContact CD1-CD1 4.36Å; I236-L241 HydrophobicContact CG1-CB 4.33Å; I236-I244 HydrophobicContact CD1-CD1 3.7Å; I236-A260 HydrophobicContact CD1-CB 3.75Å
237H94.6Very high91.7Very high0 Ų019.9 Ų19.90%010%0.099CC..EExtended strand (participates in β ladder)trans-73.6143.8173.6-169.5-105.8000111.3Y202 G203 R239 D240 L241 H326 C327 E341Y202-H237 HydrophobicContact CD2-CB 4.38Å; Y202-H237 AromaticContact CD2-CD2 3.67Å; Y202-H237 HydrophobicContact CE1-CB 4.37Å; Y202-H237 HydrophobicContact CE2-CB 3.79Å; Y202-H237 AromaticContact CE2-CD2 3.59Å; Y202-H237 WeakPolarHBondContact O-CA 3.49Å; Y202-H237 PolarHBondContact O-CD2 3.15Å; Y202-H237 VanDerWaalsContact O-CD2 3.29Å; G203-H237 WeakPolarHBondContact CA-NE2 3.4Å; H237-R239 VanDerWaalsContact C-N 3.28Å; H237-R239 WeakPolarHBondContact ND1-CB 3.45Å; H237-R239 PolarHBondContact ND1-N 2.95Å; H237-R239 PolarHBondContact O-N 2.72Å; H237-D240 HydrophobicContact CB-CB 4.4Å; H237-D240 WeakPolarHBondContact CB-OD2 3.49Å; H237-D240 PolarHBondContact O-N 3.01Å; H237-D240 VanDerWaalsContact O-N 3.09Å; H237-L241 PolarHBondContact O-N 3.4Å; H237-H326 AromaticContact CE1-CD2 3.21Å; H237-H326 PolarHBondContact CE1-CD2 3.31Å; H237-H326 AromaticContact CE1-NE2 3.69Å; H237-H326 AromaticContact ND1-CD2 3.35Å; H237-H326 PolarHBondContact ND1-CD2 2.83Å; H237-H326 VanDerWaalsContact ND1-CD2 3.35Å; H237-H326 AromaticContact ND1-CG 3.99Å; H237-H326 AromaticContact NE2-CD2 3.87Å; H237-C327 HydrophobicContact CB-CB 4.02Å; H237-E341 IonicContact CE1-OE2 3.01Å; H237-E341 IonicContact NE2-OE2 3.02Å; H237-E341 PolarHBondContact NE2-OE2 2.84Å
238L92.3Very high92Very high0 Ų015.5 Ų15.50%08%0.078CC..Hα-helixtrans-59.7-34.9-179-79.5170.9000114.1Y17 D18 N21 F25 T201 Y202 T242Y17-L238 HydrophobicContact CD1-CD1 4.49Å; Y17-L238 HydrophobicContact CE1-CD1 3.65Å; Y17-L238 HydrophobicContact CE1-CG 4.39Å; Y17-L238 HydrophobicContact CE2-CD1 4.02Å; Y17-L238 VanDerWaalsContact OH-CD1 3.26Å; Y17-L238 WeakPolarHBondContact OH-CD1 3.47Å; D18-L238 HydrophobicContact CB-CD2 4.31Å; N21-L238 HydrophobicContact CB-CD1 3.74Å; N21-L238 WeakPolarHBondContact ND2-CD1 3.45Å; F25-L238 HydrophobicContact CE2-CB 4.03Å; T201-L238 HydrophobicContact CG2-CD2 4.04Å; Y202-L238 PolarHBondContact O-N 3.06Å; L238-T242 WeakPolarHBondContact O-CB 3.32Å; L238-T242 PolarHBondContact O-N 3.48Å; L238-T242 PolarHBondContact O-OG1 3.26Å
239R92Very high92.1Very high87 Ų8711.8 Ų11.833%0.3286%0.058SC..Hα-helixtrans-65.5-42.4175.3-66.4179.1-178.9-123.9-2.6111.2F25 E204 H237 T242 S243 H326F25-R239 HydrophobicContact CD1-CG 4.29Å; F25-R239 HydrophobicContact CD2-CG 4.02Å; F25-R239 HydrophobicContact CE1-CG 3.89Å; F25-R239 HydrophobicContact CE2-CG 3.58Å; F25-R239 HydrophobicContact CG-CG 4.36Å; F25-R239 HydrophobicContact CZ-CG 3.52Å; E204-R239 IonicContact OE1-NH2 3.3Å; E204-R239 PolarHBondContact OE1-NH2 3.49Å; H237-R239 VanDerWaalsContact C-N 3.28Å; H237-R239 WeakPolarHBondContact ND1-CB 3.45Å; H237-R239 PolarHBondContact ND1-N 2.95Å; H237-R239 PolarHBondContact O-N 2.72Å; R239-T242 WeakPolarHBondContact O-CB 3.45Å; R239-T242 PolarHBondContact O-N 3.48Å; R239-T242 VanDerWaalsContact O-N 3.15Å; R239-S243 PolarHBondContact O-N 3.39Å; R239-S243 PolarHBondContact O-OG 3.43Å; R239-H326 HydrophobicContact CB-CB 4.13Å
240D93.1Very high92.2Very high0 Ų013.6 Ų13.60%07%0.067CC..Hα-helixtrans-67.1-41.4178.6-63.2-31.2000111.4I236 H237 T242 S243 I244 W325 H326 C327I236-D240 HydrophobicContact CD1-CB 4.48Å; I236-D240 HydrophobicContact CG1-CB 4.18Å; H237-D240 HydrophobicContact CB-CB 4.4Å; H237-D240 WeakPolarHBondContact CB-OD2 3.49Å; H237-D240 PolarHBondContact O-N 3.01Å; H237-D240 VanDerWaalsContact O-N 3.09Å; D240-T242 VanDerWaalsContact C-N 3.25Å; D240-T242 PolarHBondContact O-N 3.23Å; D240-S243 PolarHBondContact O-N 2.83Å; D240-I244 VanDerWaalsContact O-CG1 3.3Å; D240-I244 WeakPolarHBondContact O-CG1 3.21Å; D240-I244 PolarHBondContact O-N 2.92Å; D240-W325 HydrophobicContact CB-CE3 3.95Å; D240-W325 HydrophobicContact CB-CZ3 4.07Å; D240-W325 WeakPolarHBondContact OD1-CA 3.48Å; D240-H326 WeakPolarHBondContact OD1-CB 3.36Å; D240-H326 PolarHBondContact OD1-N 3.08Å; D240-C327 PolarHBondContact OD2-N 3.19Å
241L93.9Very high92Very high1 Ų112.6 Ų12.61%0.0056%0.06CC..Hα-helixtrans-58.3-40.4171.9179.860.9000111.5I22 I196 C198 T201 I236 H237 I244 L245 A260I22-L241 HydrophobicContact CD1-CD2 4.22Å; I196-L241 HydrophobicContact CG2-CD1 4.17Å; C198-L241 HydrophobicContact CB-CD1 4.03Å; C198-L241 HydrophobicContact CB-CD2 4.43Å; T201-L241 HydrophobicContact CG2-CD2 3.89Å; I236-L241 HydrophobicContact CD1-CB 3.98Å; I236-L241 HydrophobicContact CD1-CD1 4.36Å; I236-L241 HydrophobicContact CG1-CB 4.33Å; H237-L241 PolarHBondContact O-N 3.4Å; L241-I244 PolarHBondContact O-N 3.15Å; L241-L245 HydrophobicContact CG-CD1 4.46Å; L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 3.39Å; L241-A260 HydrophobicContact CD1-CB 3.94Å
242T93Very high91.9Very high1 Ų117.2 Ų17.21%0.0068%0.076CC..Hα-helixtrans-68.2-39.9177.2-530000112F25 L26 L29 L238 R239 D240 I244 L245 Q246F25-T242 HydrophobicContact CB-CG2 3.79Å; L26-T242 HydrophobicContact CD2-CG2 3.71Å; L26-T242 HydrophobicContact CG-CG2 3.68Å; L29-T242 HydrophobicContact CD1-CG2 3.81Å; L238-T242 WeakPolarHBondContact O-CB 3.32Å; L238-T242 PolarHBondContact O-N 3.48Å; L238-T242 PolarHBondContact O-OG1 3.26Å; R239-T242 WeakPolarHBondContact O-CB 3.45Å; R239-T242 PolarHBondContact O-N 3.48Å; R239-T242 VanDerWaalsContact O-N 3.15Å; D240-T242 VanDerWaalsContact C-N 3.25Å; D240-T242 PolarHBondContact O-N 3.23Å; T242-I244 VanDerWaalsContact C-N 3.33Å; T242-I244 PolarHBondContact O-N 3.38Å; T242-L245 WeakPolarHBondContact O-CB 3.45Å; T242-L245 PolarHBondContact O-N 3.19Å; T242-Q246 PolarHBondContact O-N 3.11Å
243S92.1Very high91.7Very high24 Ų2417 Ų1717%0.1688%0.076CC..Hα-helixtrans-61.3-42.7173.4-61.60000111.2R239 D240 L245 Q246 C247R239-S243 PolarHBondContact O-N 3.39Å; R239-S243 PolarHBondContact O-OG 3.43Å; D240-S243 PolarHBondContact O-N 2.83Å; S243-L245 VanDerWaalsContact C-N 3.35Å; S243-L245 PolarHBondContact O-N 3.49Å; S243-Q246 WeakPolarHBondContact O-CB 3.2Å; S243-Q246 PolarHBondContact O-N 2.93Å; S243-C247 PolarHBondContact O-N 2.66Å; S243-C247 PolarHBondContact O-SG 2.73Å; S243-C247 VanDerWaalsContact O-SG 3.4Å
244I92.6Very high91.4Very high0 Ų021.3 Ų21.30%011%0.111CC..Hα-helixtrans-61.7-43.6174.5-67.6169000110.6I236 D240 L241 T242 Q246 C247 V248 A260 V317 F321 I323I236-I244 HydrophobicContact CD1-CD1 3.7Å; D240-I244 VanDerWaalsContact O-CG1 3.3Å; D240-I244 WeakPolarHBondContact O-CG1 3.21Å; D240-I244 PolarHBondContact O-N 2.92Å; L241-I244 PolarHBondContact O-N 3.15Å; T242-I244 VanDerWaalsContact C-N 3.33Å; T242-I244 PolarHBondContact O-N 3.38Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 3.11Å; I244-C247 WeakPolarHBondContact O-CB 3.35Å; I244-C247 PolarHBondContact O-N 3.41Å; I244-V248 HydrophobicContact CG2-CG2 4.46Å; I244-V248 VanDerWaalsContact O-CG2 3.3Å; I244-V248 WeakPolarHBondContact O-CG2 3.41Å; I244-V248 PolarHBondContact O-N 3.48Å; I244-A260 HydrophobicContact CD1-CB 3.87Å; I244-V317 HydrophobicContact CD1-CG1 3.9Å; I244-V317 HydrophobicContact CD1-CG2 4.41Å; I244-V317 HydrophobicContact CG1-CG1 3.92Å; I244-V317 HydrophobicContact CG2-CG2 4.49Å; I244-F321 HydrophobicContact CG2-CD2 4.44Å; I244-F321 HydrophobicContact CG2-CE2 4.12Å; I244-I323 HydrophobicContact CD1-CD1 4.48Å; I244-I323 HydrophobicContact CG1-CD1 3.87Å
245L92.9Very high91.2Very high0 Ų024.2 Ų24.20%012%0.124CC..Hα-helixtrans-58.8-46.5175.3-74.6166000111.3I22 I133 I135 I196 L241 T242 S243 C247 V248 M249I22-L245 HydrophobicContact CD1-CD1 4.14Å; I22-L245 HydrophobicContact CG1-CD1 4.37Å; I22-L245 HydrophobicContact CG2-CD1 3.75Å; I133-L245 HydrophobicContact CD1-CD2 4.15Å; I133-L245 HydrophobicContact CG2-CD2 3.74Å; I135-L245 HydrophobicContact CD1-CD1 3.94Å; I135-L245 HydrophobicContact CD1-CD2 4.2Å; I135-L245 HydrophobicContact CG1-CD2 4.33Å; I196-L245 HydrophobicContact CD1-CD2 3.45Å; I196-L245 VanDerWaalsContact CD1-CD2 3.45Å; I196-L245 HydrophobicContact CD1-CG 4.25Å; L241-L245 HydrophobicContact CG-CD1 4.46Å; L241-L245 WeakPolarHBondContact O-CG 3.48Å; L241-L245 PolarHBondContact O-N 3.39Å; T242-L245 WeakPolarHBondContact O-CB 3.45Å; T242-L245 PolarHBondContact O-N 3.19Å; S243-L245 VanDerWaalsContact C-N 3.35Å; S243-L245 PolarHBondContact O-N 3.49Å; L245-C247 VanDerWaalsContact C-N 3.34Å; L245-C247 PolarHBondContact O-N 3.41Å; L245-V248 PolarHBondContact O-N 2.85Å; L245-M249 WeakPolarHBondContact O-CB 3.46Å; L245-M249 WeakPolarHBondContact O-CG 3.33Å; L245-M249 PolarHBondContact O-N 3.24Å
246Q90.8Very high91Very high9 Ų925.7 Ų25.74%0.04213%0.131CC..Hα-helixtrans-58.6-45.7175.7-176.8179.312.400111.3V30 T242 S243 I244 V248 M249 E250V30-Q246 PolarHBondContact O-NE2 2.76Å; V30-Q246 VanDerWaalsContact O-NE2 3.11Å; T242-Q246 PolarHBondContact O-N 3.11Å; S243-Q246 WeakPolarHBondContact O-CB 3.2Å; S243-Q246 PolarHBondContact O-N 2.93Å; I244-Q246 VanDerWaalsContact C-N 3.35Å; I244-Q246 PolarHBondContact O-N 3.11Å; Q246-V248 PolarHBondContact O-N 3.02Å; Q246-M249 WeakPolarHBondContact O-CB 3.36Å; Q246-M249 PolarHBondContact O-N 3.49Å; Q246-E250 HydrophobicContact CG-CG 4.29Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.4Å; Q246-E250 PolarHBondContact NE2-OE1 3.25Å; Q246-E250 WeakPolarHBondContact O-CB 3.35Å; Q246-E250 WeakPolarHBondContact O-CG 3.36Å; Q246-E250 PolarHBondContact O-N 3.28Å
247C91Very high90.9Very high3 Ų326.1 Ų26.12%0.0213%0.132CC..Hα-helixtrans-59.6-42.7175.8-76.40000112.6S243 I244 L245 M249 E250 M251 F321 I323S243-C247 PolarHBondContact O-N 2.66Å; S243-C247 PolarHBondContact O-SG 2.73Å; S243-C247 VanDerWaalsContact O-SG 3.4Å; I244-C247 WeakPolarHBondContact O-CB 3.35Å; I244-C247 PolarHBondContact O-N 3.41Å; L245-C247 VanDerWaalsContact C-N 3.34Å; L245-C247 PolarHBondContact O-N 3.41Å; C247-M249 VanDerWaalsContact C-N 3.33Å; C247-M249 PolarHBondContact O-N 3.31Å; C247-E250 PolarHBondContact O-N 3.23Å; C247-M251 HydrophobicContact CB-CE 3.4Å; C247-M251 VanDerWaalsContact CB-CE 3.4Å; C247-M251 VanDerWaalsContact O-CB 3.31Å; C247-M251 WeakPolarHBondContact O-CB 3.28Å; C247-M251 PolarHBondContact O-N 3.18Å; C247-F321 HydrophobicContact CB-CB 4.36Å; C247-F321 HydrophobicContact CB-CD1 4.23Å; C247-F321 HydrophobicContact CB-CD2 3.76Å; C247-F321 HydrophobicContact CB-CE1 4.46Å; C247-F321 HydrophobicContact CB-CE2 4.03Å; C247-F321 HydrophobicContact CB-CG 3.89Å; C247-F321 HydrophobicContact CB-CZ 4.36Å; C247-I323 WeakPolarHBondContact SG-CG2 3.46Å
248V91.7Very high90.8Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-64.2-40.1176.7172.90000111.3I133 Y194 I196 I244 L245 Q246 R252 P253 I258 F321I133-V248 HydrophobicContact CD1-CG1 4.03Å; Y194-V248 HydrophobicContact CD1-CG1 3.98Å; Y194-V248 HydrophobicContact CD2-CG1 3.54Å; Y194-V248 HydrophobicContact CE1-CG1 4.41Å; Y194-V248 HydrophobicContact CE2-CG1 3.96Å; Y194-V248 HydrophobicContact CG-CG1 3.54Å; I196-V248 HydrophobicContact CD1-CG2 4.19Å; I244-V248 HydrophobicContact CG2-CG2 4.46Å; I244-V248 VanDerWaalsContact O-CG2 3.3Å; I244-V248 WeakPolarHBondContact O-CG2 3.41Å; I244-V248 PolarHBondContact O-N 3.48Å; L245-V248 PolarHBondContact O-N 2.85Å; Q246-V248 PolarHBondContact O-N 3.02Å; V248-R252 PolarHBondContact O-N 3.08Å; V248-P253 HydrophobicContact CG1-CG 4.36Å; V248-P253 HydrophobicContact CG2-CG 4.29Å; V248-I258 HydrophobicContact CG2-CD1 3.52Å; V248-F321 HydrophobicContact CG2-CE2 3.99Å; V248-F321 HydrophobicContact CG2-CZ 3.95Å
249M89.8Confident90.9Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-66.6-45.1178.4-70.6168.25200112.1V9 Y59 Y97 I99 I133 L245 Q246 C247V9-M249 HydrophobicContact CG2-CE 3.71Å; Y59-M249 HydrophobicContact CD1-CE 4.08Å; Y59-M249 HydrophobicContact CE1-CE 3.61Å; Y97-M249 HydrophobicContact CD1-CB 3.79Å; Y97-M249 HydrophobicContact CD1-CE 3.75Å; Y97-M249 HydrophobicContact CD1-CG 3.56Å; Y97-M249 HydrophobicContact CD1-SD 4.3Å; Y97-M249 HydrophobicContact CD2-CE 3.7Å; Y97-M249 HydrophobicContact CE1-CB 3.56Å; Y97-M249 HydrophobicContact CE1-CE 4.13Å; Y97-M249 HydrophobicContact CE1-CG 3.92Å; Y97-M249 HydrophobicContact CE2-CE 4.12Å; Y97-M249 HydrophobicContact CG-CE 3.5Å; Y97-M249 HydrophobicContact CG-CG 4.23Å; Y97-M249 HydrophobicContact CG-SD 4.39Å; I99-M249 HydrophobicContact CD1-SD 4.27Å; I133-M249 HydrophobicContact CD1-CG 3.73Å; I133-M249 HydrophobicContact CD1-SD 4.44Å; L245-M249 WeakPolarHBondContact O-CB 3.46Å; L245-M249 WeakPolarHBondContact O-CG 3.33Å; L245-M249 PolarHBondContact O-N 3.24Å; Q246-M249 WeakPolarHBondContact O-CB 3.36Å; Q246-M249 PolarHBondContact O-N 3.49Å; C247-M249 VanDerWaalsContact C-N 3.33Å; C247-M249 PolarHBondContact O-N 3.31Å
250E87.6Confident90.9Very high37 Ų3722 Ų2217%0.17312%0.117CC..Hα-helixtrans-82.1-49.8-175.3-67.7-175.7-169.900112.7G32 A34 Y59 Q246 C247G32-E250 VanDerWaalsContact CA-OE2 3.28Å; G32-E250 WeakPolarHBondContact CA-OE2 3.4Å; G32-E250 PolarHBondContact N-OE1 2.95Å; G32-E250 PolarHBondContact N-OE2 3.23Å; A34-E250 HydrophobicContact CB-CB 4.32Å; A34-E250 WeakPolarHBondContact CB-OE2 3.26Å; A34-E250 PolarHBondContact N-OE2 3.34Å; Y59-E250 PolarHBondContact OH-OE1 3.16Å; Q246-E250 HydrophobicContact CG-CG 4.29Å; Q246-E250 WeakPolarHBondContact CG-OE1 3.4Å; Q246-E250 PolarHBondContact NE2-OE1 3.25Å; Q246-E250 WeakPolarHBondContact O-CB 3.35Å; Q246-E250 WeakPolarHBondContact O-CG 3.36Å; Q246-E250 PolarHBondContact O-N 3.28Å; C247-E250 PolarHBondContact O-N 3.23Å
251M86.4Confident91Very high72 Ų7222 Ų2236%0.35512%0.117SC..Hα-helixtrans-85-19.9-173.2-66.9-171.2-78.700114.4C247 F321C247-M251 HydrophobicContact CB-CE 3.4Å; C247-M251 VanDerWaalsContact CB-CE 3.4Å; C247-M251 VanDerWaalsContact O-CB 3.31Å; C247-M251 WeakPolarHBondContact O-CB 3.28Å; C247-M251 PolarHBondContact O-N 3.18Å; M251-F321 HydrophobicContact CE-CB 4.07Å; M251-F321 HydrophobicContact CE-CD1 3.15Å; M251-F321 HydrophobicContact CE-CE1 3.68Å; M251-F321 HydrophobicContact CE-CG 3.75Å; M251-F321 HydrophobicContact SD-CD1 4.37Å
252R88.7Confident90.9Very high113 Ų11322.1 Ų22.143%0.42612%0.118SC..  trans51.369.1179.7-57.7-179.9-174.1169.97.4112.6I131 L192 Y194 V248I131-R252 HydrophobicContact CD1-CG 4.08Å; L192-R252 HydrophobicContact CD1-CB 4.17Å; L192-R252 HydrophobicContact CD1-CG 4.22Å; Y194-R252 VanDerWaalsContact OH-C 3.25Å; Y194-R252 WeakPolarHBondContact OH-CA 3.45Å; V248-R252 PolarHBondContact O-N 3.08Å
253P88.6Confident90.7Very high10 Ų1024.9 Ų24.97%0.06513%0.132CC..  trans-60.6151.9-172.722.7-32.5000113.7Y194 V248 K255 I258 Y316 F321Y194-P253 HydrophobicContact CD1-CG 4.19Å; Y194-P253 HydrophobicContact CE1-CG 3.64Å; Y194-P253 WeakPolarHBondContact CE1-O 3.48Å; Y194-P253 PolarHBondContact OH-O 3.42Å; V248-P253 HydrophobicContact CG1-CG 4.36Å; V248-P253 HydrophobicContact CG2-CG 4.29Å; P253-K255 VanDerWaalsContact C-N 3.32Å; P253-K255 PolarHBondContact O-N 3.09Å; P253-I258 HydrophobicContact CB-CD1 4.41Å; P253-I258 HydrophobicContact CG-CD1 3.66Å; P253-Y316 HydrophobicContact CB-CE1 3.74Å; P253-Y316 WeakPolarHBondContact CB-OH 3.49Å; P253-F321 HydrophobicContact CB-CE1 4.29Å; P253-F321 HydrophobicContact CB-CZ 4.3Å; P253-F321 HydrophobicContact CG-CE1 4.47Å; P253-F321 HydrophobicContact CG-CZ 4.09Å
254A86.9Confident90.6Very high91 Ų9124.1 Ų24.175%0.75213%0.127SC*.SBendtrans-70.1-30.2176.700000112.7
255K88.2Confident90.5Very high61 Ų6127.5 Ų27.527%0.26514%0.143SC..  trans-81.4121.1174.1-66.8-161.4-170.7-173.40109.3D159 P253 Y316D159-K255 VanDerWaalsContact CG-NZ 3.3Å; D159-K255 IonicContact OD1-NZ 2.9Å; D159-K255 PolarHBondContact OD1-NZ 3.37Å; D159-K255 IonicContact OD2-NZ 3.9Å; D159-K255 PolarHBondContact OD2-NZ 2.61Å; P253-K255 VanDerWaalsContact C-N 3.32Å; P253-K255 PolarHBondContact O-N 3.09Å; K255-Y316 HydrophobicContact CB-CD1 4.47Å; K255-Y316 HydrophobicContact CB-CD2 4.42Å; K255-Y316 HydrophobicContact CB-CE1 4.11Å; K255-Y316 HydrophobicContact CB-CE2 4.08Å; K255-Y316 HydrophobicContact CD-CD2 3.46Å; K255-Y316 VanDerWaalsContact CD-CD2 3.46Å; K255-Y316 HydrophobicContact CD-CE2 3.74Å; K255-Y316 HydrophobicContact CD-CG 3.93Å; K255-Y316 HydrophobicContact CG-CD2 3.95Å; K255-Y316 HydrophobicContact CG-CE2 3.67Å
256H90Very high90.4Very high31 Ų3129 Ų2914%0.14415%0.15CC..SBendtrans-86.7-10179.9-69.4-82.5000113.7K188 T193 Y194 V195K188-H256 PolarHBondContact NZ-NE2 2.87Å; K188-H256 VanDerWaalsContact NZ-NE2 3.2Å; T193-H256 PolarHBondContact O-ND1 2.81Å; Y194-H256 CarbonylContact C-O 3.51Å; Y194-H256 WeakPolarHBondContact CA-O 3.38Å; Y194-H256 AromaticContact CE1-ND1 3.9Å; V195-H256 PolarHBondContact N-O 3.31Å
257Y92.5Very high90.5Very high8 Ų829.7 Ų29.73%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-120122.3175.2-169.9-76.6000106.9W141 Y161 V195 A197W141-Y257 AromaticContact CZ2-CE1 3.87Å; W141-Y257 HydrophobicContact CZ2-CE1 3.87Å; W141-Y257 PolarHBondContact NE1-OH 2.92Å; Y161-Y257 HydrophobicContact CD2-CD1 4.19Å; Y161-Y257 AromaticContact CD2-CD2 3.65Å; Y161-Y257 HydrophobicContact CD2-CD2 3.65Å; Y161-Y257 HydrophobicContact CD2-CE2 4.12Å; Y161-Y257 AromaticContact CD2-CG 3.68Å; Y161-Y257 HydrophobicContact CD2-CG 3.68Å; Y161-Y257 HydrophobicContact CE2-CD2 4.23Å; Y161-Y257 HydrophobicContact CE2-CG 4.25Å; Y161-Y257 AromaticContact CG-CD1 3.98Å; Y161-Y257 HydrophobicContact CG-CD1 3.98Å; Y161-Y257 HydrophobicContact CG-CD2 4.27Å; Y161-Y257 HydrophobicContact CG-CE1 4.42Å; Y161-Y257 AromaticContact CG-CG 3.92Å; Y161-Y257 HydrophobicContact CG-CG 3.92Å; V195-Y257 HydrophobicContact CB-CD2 3.86Å; V195-Y257 HydrophobicContact CB-CE2 4.28Å; V195-Y257 HydrophobicContact CG1-CD2 3.74Å; V195-Y257 HydrophobicContact CG1-CE2 3.62Å; V195-Y257 WeakPolarHBondContact O-CA 3.42Å; A197-Y257 HydrophobicContact CB-CE1 4.09Å; A197-Y257 VanDerWaalsContact CB-OH 3.22Å; A197-Y257 WeakPolarHBondContact CB-OH 3.49Å
258I93Very high90.6Very high0 Ų029.5 Ų29.50%015%0.154CC..EExtended strand (participates in β ladder)trans-131.1134-173.4-58.6171.1000108.5D158 Y194 V195 I196 A197 V248 P253 Y316 V317 F321D158-I258 WeakPolarHBondContact OD1-CA 3.39Å; Y194-I258 HydrophobicContact CD1-CD1 4.49Å; V195-I258 PolarHBondContact O-N 3.36Å; I196-I258 CarbonylContact C-O 3.55Å; I196-I258 VanDerWaalsContact CA-O 3.26Å; I196-I258 WeakPolarHBondContact CA-O 3.39Å; A197-I258 PolarHBondContact N-O 3.5Å; V248-I258 HydrophobicContact CG2-CD1 3.52Å; P253-I258 HydrophobicContact CB-CD1 4.41Å; P253-I258 HydrophobicContact CG-CD1 3.66Å; I258-Y316 HydrophobicContact CD1-CE1 4.33Å; I258-Y316 HydrophobicContact CG1-CD1 4.22Å; I258-Y316 HydrophobicContact CG1-CE1 4.35Å; I258-Y316 HydrophobicContact CG2-CD1 4.47Å; I258-V317 HydrophobicContact CG2-CG2 3.62Å; I258-F321 HydrophobicContact CD1-CZ 4.19Å
259L93.4Very high90.7Very high0 Ų033.9 Ų33.90%017%0.171CC..EExtended strand (participates in β ladder)trans-93.3125.1173.9179.669.4000108.2V138 D158 A197 M312 A314 V317V138-L259 HydrophobicContact CG1-CD1 3.91Å; D158-L259 VanDerWaalsContact OD1-CB 3.22Å; D158-L259 WeakPolarHBondContact OD1-CB 3.36Å; D158-L259 PolarHBondContact OD1-N 3.07Å; A197-L259 HydrophobicContact CB-CD1 4.46Å; A197-L259 WeakPolarHBondContact O-CA 3.4Å; L259-M312 HydrophobicContact CD1-CE 3.39Å; L259-M312 HydrophobicContact CD1-SD 3.88Å; L259-M312 HydrophobicContact CD2-CB 3.72Å; L259-M312 HydrophobicContact CD2-CE 3.96Å; L259-M312 HydrophobicContact CG-CE 4.33Å; L259-A314 HydrophobicContact CB-CB 4.5Å; L259-A314 HydrophobicContact CD2-CB 4.36Å; L259-A314 HydrophobicContact CG-CB 4.33Å; L259-A314 VanDerWaalsContact O-CB 3.28Å; L259-A314 WeakPolarHBondContact O-CB 3.39Å; L259-V317 WeakPolarHBondContact O-CG2 3.42Å
260A93.5Very high90.9Very high0 Ų038.1 Ų38.10%019%0.191CC..EExtended strand (participates in β ladder)trans-113.6105.817900000109.6I196 A197 C198 G199 I236 L241 I244I196-A260 HydrophobicContact CG2-CB 3.61Å; A197-A260 PolarHBondContact O-N 2.92Å; C198-A260 CarbonylContact C-O 3.5Å; C198-A260 VanDerWaalsContact CA-O 3.3Å; C198-A260 WeakPolarHBondContact CA-O 3.17Å; C198-A260 HydrophobicContact CB-CB 4.18Å; G199-A260 PolarHBondContact N-O 3.38Å; I236-A260 HydrophobicContact CD1-CB 3.75Å; L241-A260 HydrophobicContact CD1-CB 3.94Å; I244-A260 HydrophobicContact CD1-CB 3.87Å
261K93.4Very high91.2Very high2 Ų236.4 Ų36.41%0.00918%0.183CC..  trans-151.4147.8-178.9-169.8-150.5174.8-148.60109.3P234 T235 S264 M312P234-K261 HydrophobicContact CB-CD 3.91Å; P234-K261 HydrophobicContact CB-CG 3.87Å; T235-K261 WeakPolarHBondContact O-CA 3.45Å; T235-K261 VanDerWaalsContact O-CG 3.3Å; T235-K261 WeakPolarHBondContact O-CG 3.32Å; K261-S264 WeakPolarHBondContact CE-O 3.43Å; K261-S264 PolarHBondContact NZ-O 3.46Å; K261-M312 HydrophobicContact CD-CB 4.33Å; K261-M312 WeakPolarHBondContact CD-O 2.96Å; K261-M312 PolarHBondContact NZ-O 2.89Å
262D92.3Very high91.5Very high3 Ų333 Ų332%0.01617%0.166CC..  trans-67.4175.1165.564.636000112.7Y202 T235 S264 G330Y202-D262 PolarHBondContact OH-OD2 2.95Å; T235-D262 VanDerWaalsContact C-OD2 3.23Å; T235-D262 WeakPolarHBondContact CB-OD2 3.38Å; T235-D262 PolarHBondContact O-N 3.14Å; T235-D262 VanDerWaalsContact O-OD2 3.1Å; T235-D262 PolarHBondContact OG1-OD1 2.86Å; T235-D262 PolarHBondContact OG1-OD2 2.75Å; D262-S264 PolarHBondContact O-N 3.22Å; D262-S264 VanDerWaalsContact OD1-CB 3.24Å; D262-S264 WeakPolarHBondContact OD1-CB 3.43Å; D262-S264 PolarHBondContact OD1-N 2.79Å; D262-S264 PolarHBondContact OD1-OG 3.24Å; D262-S264 PolarHBondContact OD2-OG 3.01Å; D262-G330 WeakPolarHBondContact OD2-CA 3.34Å
263D90.2Very high91.7Very high59 Ų5933.2 Ų33.232%0.31617%0.17SC..SBendtrans-76.8-12.5-177.9-75.921.3000112.9K318 E328D263-K318 WeakPolarHBondContact OD1-CE 2.95Å; D263-K318 IonicContact OD1-NZ 3.77Å; D263-K318 PolarHBondContact OD1-NZ 3.45Å; D263-K318 IonicContact OD2-NZ 3.54Å; D263-K318 PolarHBondContact OD2-NZ 2.99Å; D263-E328 VanDerWaalsContact CB-O 3.31Å; D263-E328 WeakPolarHBondContact CB-O 3.32Å; D263-E328 PolarHBondContact N-O 3.41Å
264S89.6Confident91.9Very high7 Ų733.4 Ų33.45%0.04917%0.173CC..  trans-71.7145.5-170.286.10000111.8T235 K261 D262 N266 T329T235-S264 PolarHBondContact OG1-OG 2.99Å; K261-S264 WeakPolarHBondContact CE-O 3.43Å; K261-S264 PolarHBondContact NZ-O 3.46Å; D262-S264 PolarHBondContact O-N 3.22Å; D262-S264 VanDerWaalsContact OD1-CB 3.24Å; D262-S264 WeakPolarHBondContact OD1-CB 3.43Å; D262-S264 PolarHBondContact OD1-N 2.79Å; D262-S264 PolarHBondContact OD1-OG 3.24Å; D262-S264 PolarHBondContact OD2-OG 3.01Å; S264-N266 WeakPolarHBondContact CB-ND2 3.15Å; S264-T329 VanDerWaalsContact CB-O 3.31Å; S264-T329 WeakPolarHBondContact CB-O 3.44Å
265Q89.2Confident92.1Very high72 Ų7229.1 Ų29.134%0.33614%0.137SC..  trans-125.947.5175-63.7-72.717.500109.5M312Q265-M312 PolarHBondContact NE2-O 3.09Å
266N92Very high92.3Very high30 Ų3026.2 Ų26.216%0.1612%0.124CC..  trans-81.6144.3-171.2-62.3-33.4000111.5V233 S264 I271 I332V233-N266 PolarHBondContact N-O 2.86Å; S264-N266 WeakPolarHBondContact CB-ND2 3.15Å; N266-I271 HydrophobicContact CB-CD1 4.16Å; N266-I271 HydrophobicContact CB-CG1 3.9Å; N266-I332 HydrophobicContact CB-CD1 3.74Å; N266-I332 HydrophobicContact CB-CG1 4.45Å; N266-I332 WeakPolarHBondContact ND2-CD1 3.34Å; N266-I332 WeakPolarHBondContact ND2-CG1 3.27Å
267T93.5Very high92.3Very high24 Ų2428.4 Ų28.415%0.14714%0.14CC..BIsolated β-bridgetrans-75.3153.9169.261.70000110.7N231 I232 R269 E270 I271N231-T267 CarbonylContact O-C 3.56Å; N231-T267 VanDerWaalsContact O-CA 3.26Å; N231-T267 WeakPolarHBondContact O-CA 3.42Å; I232-T267 HydrophobicContact CG1-CG2 4.28Å; T267-R269 PolarHBondContact O-N 3.22Å; T267-E270 PolarHBondContact N-OE2 3.13Å; T267-E270 PolarHBondContact O-N 3.03Å; T267-E270 VanDerWaalsContact O-N 3.12Å; T267-E270 WeakPolarHBondContact OG1-CB 3.46Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-N 3.41Å; T267-E270 PolarHBondContact OG1-OE2 2.9Å; T267-I271 WeakPolarHBondContact O-CG1 3.26Å; T267-I271 PolarHBondContact O-N 3.14Å
268L93.1Very high92Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-55.4-38.2173178.961.4000111.3F212 I225 G229 N231 V233 I271 V272 L306F212-L268 HydrophobicContact CE2-CD1 4.3Å; F212-L268 HydrophobicContact CZ-CD1 4.44Å; I225-L268 HydrophobicContact CG2-CD2 3.87Å; I225-L268 HydrophobicContact CG2-CG 4.12Å; G229-L268 PolarHBondContact O-N 3.01Å; N231-L268 PolarHBondContact O-N 2.71Å; V233-L268 HydrophobicContact CG2-CB 3.96Å; L268-I271 PolarHBondContact O-N 2.54Å; L268-V272 HydrophobicContact CD1-CG2 3.91Å; L268-V272 HydrophobicContact CG-CG2 4.31Å; L268-V272 VanDerWaalsContact O-CG2 3.31Å; L268-V272 WeakPolarHBondContact O-CG2 3.38Å; L268-V272 PolarHBondContact O-N 3.42Å; L268-L306 HydrophobicContact CD1-CD2 3.85Å; L268-L306 HydrophobicContact CD2-CB 4.38Å
269R93.6Very high91.6Very high91 Ų9128.8 Ų28.834%0.34314%0.144SC..Hα-helixtrans-58.9-46.7176.1176.5177.3-72.8-97.4-1.5112.3D228 G229 T267 K273D228-R269 VanDerWaalsContact O-CZ 3.26Å; D228-R269 PolarHBondContact O-NE 3.49Å; D228-R269 PolarHBondContact O-NH2 3.4Å; G229-R269 VanDerWaalsContact O-CB 3.27Å; G229-R269 WeakPolarHBondContact O-CB 3.29Å; G229-R269 PolarHBondContact O-N 3.15Å; T267-R269 PolarHBondContact O-N 3.22Å; R269-K273 WeakPolarHBondContact O-CB 3.45Å; R269-K273 PolarHBondContact O-N 3.29Å
270E93.7Very high91.2Very high90 Ų9029.2 Ų29.242%0.42115%0.147SC..Hα-helixtrans-66.4-42.8179.3-72.3158.6161.200111.6T267 K273 A274 I332T267-E270 PolarHBondContact N-OE2 3.13Å; T267-E270 PolarHBondContact O-N 3.03Å; T267-E270 VanDerWaalsContact O-N 3.12Å; T267-E270 WeakPolarHBondContact OG1-CB 3.46Å; T267-E270 WeakPolarHBondContact OG1-CG 3.48Å; T267-E270 PolarHBondContact OG1-N 3.41Å; T267-E270 PolarHBondContact OG1-OE2 2.9Å; E270-K273 WeakPolarHBondContact O-CB 3.31Å; E270-K273 PolarHBondContact O-N 3.39Å; E270-A274 PolarHBondContact O-N 3.36Å; E270-I332 HydrophobicContact CB-CD1 3.61Å
271I93.2Very high90.7Very high1 Ų132.7 Ų32.71%0.00517%0.168CC..Hα-helixtrans-58-52.5175.9-69.4167.1000110.7F209 V233 T235 N266 T267 L268 K273 A274 I275 L331 I332F209-I271 HydrophobicContact CD1-CG2 4.29Å; F209-I271 HydrophobicContact CE1-CG2 3.94Å; V233-I271 HydrophobicContact CB-CD1 4.32Å; T235-I271 HydrophobicContact CG2-CD1 4.22Å; N266-I271 HydrophobicContact CB-CD1 4.16Å; N266-I271 HydrophobicContact CB-CG1 3.9Å; T267-I271 WeakPolarHBondContact O-CG1 3.26Å; T267-I271 PolarHBondContact O-N 3.14Å; L268-I271 PolarHBondContact O-N 2.54Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 2.89Å; I271-A274 WeakPolarHBondContact O-CB 3.27Å; I271-A274 PolarHBondContact O-N 2.89Å; I271-I275 HydrophobicContact CG2-CD1 4.04Å; I271-I275 WeakPolarHBondContact O-CG1 3.4Å; I271-I275 PolarHBondContact O-N 3.37Å; I271-L331 HydrophobicContact CG2-CD2 3.49Å; I271-L331 VanDerWaalsContact CG2-CD2 3.49Å; I271-I332 HydrophobicContact CG1-CD1 4.5Å; I271-I332 HydrophobicContact CG1-CG1 4.42Å
272V92.8Very high90.2Very high0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-68.7-31.3-178.6176.60000111.3F212 V223 I225 L268 I275 S276 I284F212-V272 HydrophobicContact CD1-CG1 4.1Å; F212-V272 HydrophobicContact CD1-CG2 3.96Å; F212-V272 HydrophobicContact CD2-CG2 3.91Å; F212-V272 HydrophobicContact CE1-CG2 4Å; F212-V272 HydrophobicContact CE2-CG2 3.94Å; F212-V272 HydrophobicContact CG-CG1 4.4Å; F212-V272 HydrophobicContact CG-CG2 3.92Å; F212-V272 HydrophobicContact CZ-CG2 3.98Å; V223-V272 HydrophobicContact CB-CG1 4.12Å; V223-V272 HydrophobicContact CG1-CG1 3.54Å; I225-V272 HydrophobicContact CD1-CB 3.43Å; I225-V272 VanDerWaalsContact CD1-CB 3.43Å; I225-V272 HydrophobicContact CD1-CG1 3.56Å; I225-V272 HydrophobicContact CD1-CG2 3.95Å; I225-V272 HydrophobicContact CG1-CB 3.84Å; I225-V272 HydrophobicContact CG1-CG1 3.55Å; I225-V272 HydrophobicContact CG1-CG2 4.01Å; L268-V272 HydrophobicContact CD1-CG2 3.91Å; L268-V272 HydrophobicContact CG-CG2 4.31Å; L268-V272 VanDerWaalsContact O-CG2 3.31Å; L268-V272 WeakPolarHBondContact O-CG2 3.38Å; L268-V272 PolarHBondContact O-N 3.42Å; V272-I275 PolarHBondContact O-N 2.87Å; V272-S276 VanDerWaalsContact O-CB 3.29Å; V272-S276 WeakPolarHBondContact O-CB 3.41Å; V272-S276 PolarHBondContact O-N 3.46Å; V272-I284 HydrophobicContact CG1-CG1 4.48Å
273K93.1Very high90Very high117 Ų11737.8 Ų37.851%0.50920%0.196SC..Hα-helixtrans-63.5-42.4172.4-168.3175.4179.3-171.70111.5R269 E270 I271 S276 T277 I284R269-K273 WeakPolarHBondContact O-CB 3.45Å; R269-K273 PolarHBondContact O-N 3.29Å; E270-K273 WeakPolarHBondContact O-CB 3.31Å; E270-K273 PolarHBondContact O-N 3.39Å; I271-K273 VanDerWaalsContact C-N 3.29Å; I271-K273 PolarHBondContact O-N 2.89Å; K273-S276 PolarHBondContact O-N 3.25Å; K273-T277 VanDerWaalsContact O-CB 3.32Å; K273-T277 WeakPolarHBondContact O-CB 3.14Å; K273-T277 PolarHBondContact O-N 3.14Å; K273-T277 PolarHBondContact O-OG1 3.5Å; K273-I284 HydrophobicContact CB-CD1 3.43Å; K273-I284 VanDerWaalsContact CB-CD1 3.43Å; K273-I284 HydrophobicContact CG-CD1 3.92Å
274A92.9Very high90Very high15 Ų1536.7 Ų36.712%0.12419%0.19CC..Hα-helixtrans-61.6-47.1176.500000110.9E270 I271 S276 T277 S278 I332 I335E270-A274 PolarHBondContact O-N 3.36Å; I271-A274 WeakPolarHBondContact O-CB 3.27Å; I271-A274 PolarHBondContact O-N 2.89Å; A274-S276 PolarHBondContact O-N 3.37Å; A274-T277 PolarHBondContact O-N 3.35Å; A274-S278 PolarHBondContact O-N 2.79Å; A274-I332 HydrophobicContact CB-CG1 4.18Å; A274-I332 HydrophobicContact CB-CG2 4.25Å; A274-I335 HydrophobicContact CB-CG1 4.21Å
275I91.7Very high90Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-59.8-45.5175.2-63164.9000111.3F212 F213 A216 I271 V272 T277 S278 M279 I335F212-I275 HydrophobicContact CB-CD1 4.24Å; F212-I275 HydrophobicContact CB-CG2 4.44Å; F213-I275 HydrophobicContact CD1-CG2 4.09Å; F213-I275 HydrophobicContact CD2-CD1 4.13Å; F213-I275 HydrophobicContact CD2-CG2 4.38Å; F213-I275 HydrophobicContact CE1-CG1 4.41Å; F213-I275 HydrophobicContact CE1-CG2 4.24Å; F213-I275 HydrophobicContact CE2-CD1 3.71Å; F213-I275 HydrophobicContact CE2-CG1 4Å; F213-I275 HydrophobicContact CG-CG2 4.14Å; F213-I275 HydrophobicContact CZ-CD1 4.15Å; F213-I275 HydrophobicContact CZ-CG1 3.91Å; F213-I275 HydrophobicContact CZ-CG2 4.46Å; A216-I275 HydrophobicContact CB-CG2 4.19Å; I271-I275 HydrophobicContact CG2-CD1 4.04Å; I271-I275 WeakPolarHBondContact O-CG1 3.4Å; I271-I275 PolarHBondContact O-N 3.37Å; V272-I275 PolarHBondContact O-N 2.87Å; I275-T277 VanDerWaalsContact C-N 3.34Å; I275-T277 PolarHBondContact O-N 3.46Å; I275-S278 PolarHBondContact O-N 3.11Å; I275-S278 PolarHBondContact O-OG 3.17Å; I275-M279 PolarHBondContact O-N 3.21Å; I275-I335 HydrophobicContact CG1-CD1 3.77Å
276S91.5Very high89.9Confident0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-65-38.3179.8-174.50000111.7V272 K273 A274 T280 G282 Q283V272-S276 VanDerWaalsContact O-CB 3.29Å; V272-S276 WeakPolarHBondContact O-CB 3.41Å; V272-S276 PolarHBondContact O-N 3.46Å; K273-S276 PolarHBondContact O-N 3.25Å; A274-S276 PolarHBondContact O-N 3.37Å; S276-T280 CarbonylContact O-C 3.49Å; S276-T280 VanDerWaalsContact O-CA 3.31Å; S276-T280 WeakPolarHBondContact O-CA 3.41Å; S276-T280 WeakPolarHBondContact O-CG2 3.35Å; S276-T280 PolarHBondContact O-N 3.47Å; S276-T280 WeakPolarHBondContact OG-CG2 3.39Å; S276-G282 PolarHBondContact O-N 2.78Å; S276-G282 VanDerWaalsContact OG-C 3.3Å; S276-G282 WeakPolarHBondContact OG-CA 3.31Å; S276-G282 PolarHBondContact OG-N 3.18Å; S276-Q283 PolarHBondContact OG-N 3.32Å; S276-Q283 PolarHBondContact OG-O 3.38Å
277T89.9Confident89.7Confident77 Ų7741 Ų4147%0.47222%0.215SC..Hα-helixtrans-72.2-36.8179.3-54.40000111.8K273 A274 I275K273-T277 VanDerWaalsContact O-CB 3.32Å; K273-T277 WeakPolarHBondContact O-CB 3.14Å; K273-T277 PolarHBondContact O-N 3.14Å; K273-T277 PolarHBondContact O-OG1 3.5Å; A274-T277 PolarHBondContact O-N 3.35Å; I275-T277 VanDerWaalsContact C-N 3.34Å; I275-T277 PolarHBondContact O-N 3.46Å
278S86.9Confident89.4Confident16 Ų1642.2 Ų42.211%0.11222%0.224CC..Hα-helixtrans-69-41.7179.872.40000111.6A274 I275 T339 K454A274-S278 PolarHBondContact O-N 2.79Å; I275-S278 PolarHBondContact O-N 3.11Å; I275-S278 PolarHBondContact O-OG 3.17Å; S278-T339 PolarHBondContact OG-OG1 3Å; S278-K454 PolarHBondContact O-NZ 3.29Å
279M84.7Confident88.8Confident1 Ų145.8 Ų45.81%0.00524%0.24CC..Hα-helixtrans-106.3-24.2-170.5-66-179.978.200115.8F213 A216 W217 I275 T339 N458F213-M279 HydrophobicContact CD1-SD 3.51Å; F213-M279 VanDerWaalsContact CD1-SD 3.51Å; F213-M279 HydrophobicContact CE1-SD 4.15Å; F213-M279 HydrophobicContact CG-SD 4.44Å; A216-M279 HydrophobicContact CB-CB 3.78Å; A216-M279 HydrophobicContact CB-SD 4.23Å; W217-M279 HydrophobicContact CB-CE 3.73Å; W217-M279 HydrophobicContact CD2-CE 4.34Å; W217-M279 HydrophobicContact CE3-CE 3.61Å; W217-M279 HydrophobicContact CG-CE 4.44Å; I275-M279 PolarHBondContact O-N 3.21Å; M279-T339 HydrophobicContact CG-CG2 3.83Å; M279-T339 HydrophobicContact SD-CG2 4.18Å; M279-N458 PolarHBondContact O-ND2 3.22Å
280T84.1Confident88.3Confident9 Ų948.7 Ų48.76%0.05526%0.257CS..SBendtrans-141.2-137.1-174.1-172.90000112.1A216 N219 V223 S276A216-T280 HydrophobicContact CB-CG2 3.95Å; N219-T280 PolarHBondContact OD1-OG1 2.79Å; V223-T280 HydrophobicContact CG2-CG2 4.16Å; S276-T280 CarbonylContact O-C 3.49Å; S276-T280 VanDerWaalsContact O-CA 3.31Å; S276-T280 WeakPolarHBondContact O-CA 3.41Å; S276-T280 WeakPolarHBondContact O-CG2 3.35Å; S276-T280 PolarHBondContact O-N 3.47Å; S276-T280 WeakPolarHBondContact OG-CG2 3.39Å
281T82.6Confident87.7Confident73 Ų7349.5 Ų49.545%0.44826%0.261SS..  trans-83.2-16.2-171.461.60000114.2E221 Q283E221-T281 PolarHBondContact O-OG1 2.9Å; T281-Q283 PolarHBondContact O-N 3.21Å; T281-Q283 PolarHBondContact OG1-N 3.02Å
282G84.5Confident87Confident18 Ų1849.5 Ų49.519%0.18626%0.261CS..  trans790.6-170.800000114.6S276S276-G282 PolarHBondContact O-N 2.78Å; S276-G282 VanDerWaalsContact OG-C 3.3Å; S276-G282 WeakPolarHBondContact OG-CA 3.31Å; S276-G282 PolarHBondContact OG-N 3.18Å
283Q87Confident86.3Confident93 Ų9352.7 Ų52.744%0.43528%0.278SS..  trans-88.2145.7-179.3-57.9-171.819.600111.7F222 V223 S276 T281F222-Q283 HydrophobicContact CD1-CB 3.82Å; F222-Q283 HydrophobicContact CE1-CB 4.12Å; V223-Q283 PolarHBondContact N-O 2.89Å; V223-Q283 VanDerWaalsContact N-O 3.13Å; S276-Q283 PolarHBondContact OG-N 3.32Å; S276-Q283 PolarHBondContact OG-O 3.38Å; T281-Q283 PolarHBondContact O-N 3.21Å; T281-Q283 PolarHBondContact OG1-N 3.02Å
284I89.6Confident85.7Confident37 Ų3755.5 Ų55.519%0.1929%0.29CS..EExtended strand (participates in β ladder)trans-135.7143.7-172.4-66.7168.4000109.4V223 I225 V272 K273V223-I284 WeakPolarHBondContact O-CA 3.33Å; I225-I284 HydrophobicContact CB-CG2 4.29Å; I225-I284 HydrophobicContact CD1-CB 4.39Å; I225-I284 HydrophobicContact CD1-CD1 4.02Å; I225-I284 HydrophobicContact CD1-CG1 4.33Å; I225-I284 HydrophobicContact CD1-CG2 3.21Å; I225-I284 HydrophobicContact CG1-CG2 3.59Å; V272-I284 HydrophobicContact CG1-CG1 4.48Å; K273-I284 HydrophobicContact CB-CD1 3.43Å; K273-I284 VanDerWaalsContact CB-CD1 3.43Å; K273-I284 HydrophobicContact CG-CD1 3.92Å
285K89.7Confident84.6Confident118 Ų11856.2 Ų56.251%0.51329%0.294SS..EExtended strand (participates in β ladder)trans-127129.5173.1-176.5179.6177.8-171.20110.8F222 V223 Q224 I225F222-K285 HydrophobicContact CB-CB 3.73Å; F222-K285 HydrophobicContact CD1-CB 4.48Å; F222-K285 HydrophobicContact CG-CB 4.23Å; V223-K285 PolarHBondContact O-N 3.19Å; Q224-K285 CarbonylContact C-O 3.54Å; Q224-K285 VanDerWaalsContact CA-O 3.3Å; Q224-K285 WeakPolarHBondContact CA-O 3.15Å; I225-K285 PolarHBondContact N-O 3.43Å
286S88.6Confident83.5Confident68 Ų6865.9 Ų65.948%0.47633%0.33SS..EExtended strand (participates in β ladder)trans-76.5133.4171.544.50000110.8I225 E227I225-S286 WeakPolarHBondContact O-CA 3.2Å; E227-S286 WeakPolarHBondContact O-CB 3.16Å
287I87Confident82.6Confident13 Ų1369.9 Ų69.97%0.06735%0.352CS..EExtended strand (participates in β ladder)trans-121.4153.7174.755166.1000110.1Q224 I225 E227 E291 A292Q224-I287 HydrophobicContact CB-CD1 3.92Å; Q224-I287 HydrophobicContact CB-CG1 4.22Å; Q224-I287 HydrophobicContact CB-CG2 4.14Å; Q224-I287 HydrophobicContact CG-CG2 4.29Å; I225-I287 VanDerWaalsContact O-CG1 3.27Å; I225-I287 WeakPolarHBondContact O-CG1 3.15Å; I225-I287 PolarHBondContact O-N 2.95Å; E227-I287 WeakPolarHBondContact CA-O 3.45Å; E227-I287 PolarHBondContact N-O 3.46Å; I287-E291 HydrophobicContact CB-CB 4.21Å; I287-A292 HydrophobicContact CD1-CB 3.63Å; I287-A292 HydrophobicContact CG1-CB 4.28Å
288S86.7Confident82.1Confident50 Ų5066.9 Ų66.935%0.3533%0.333SS..  trans-68158.4175.664.10000111.7E290 E291 A292S288-E290 PolarHBondContact O-N 3.34Å; S288-E291 PolarHBondContact N-OE2 3.29Å; S288-E291 PolarHBondContact O-N 3.25Å; S288-E291 WeakPolarHBondContact OG-CB 3.33Å; S288-E291 VanDerWaalsContact OG-CD 3.24Å; S288-E291 WeakPolarHBondContact OG-CG 3.4Å; S288-E291 PolarHBondContact OG-N 3.18Å; S288-E291 PolarHBondContact OG-OE2 3.03Å; S288-A292 PolarHBondContact O-N 2.83Å
289K81Confident81.9Confident75 Ų7570.2 Ų70.233%0.32635%0.353SS..Hα-helixtrans-56.2-36.9174.9-178.2175.8-178.8170.30112.5A292 L293 M303 L307K289-A292 PolarHBondContact O-N 3.21Å; K289-L293 HydrophobicContact CG-CD1 4.35Å; K289-L293 WeakPolarHBondContact O-CG 3.5Å; K289-L293 PolarHBondContact O-N 3.35Å; K289-L293 VanDerWaalsContact O-N 3.17Å; K289-M303 HydrophobicContact CG-CE 4.06Å; K289-L307 HydrophobicContact CD-CD1 3.99Å; K289-L307 HydrophobicContact CG-CD1 4.39Å
290E82.5Confident81.9Confident151 Ų15174.3 Ų74.371%0.70637%0.372SS*.Hα-helixtrans-67.6-45.1178.9-64.9171.7-172.500110.9S288 A292 L293 F294S288-E290 PolarHBondContact O-N 3.34Å; E290-A292 PolarHBondContact O-N 3.03Å; E290-L293 PolarHBondContact O-N 2.87Å; E290-F294 WeakPolarHBondContact O-CD2 3.35Å; E290-F294 PolarHBondContact O-N 2.66Å
291E82.7Confident82Confident108 Ų10875.8 Ų75.851%0.50538%0.38SS..Hα-helixtrans-61.1-42.1174-73.9166.5156.800112.3I287 S288 L293 F294I287-E291 HydrophobicContact CB-CB 4.21Å; S288-E291 PolarHBondContact N-OE2 3.29Å; S288-E291 PolarHBondContact O-N 3.25Å; S288-E291 WeakPolarHBondContact OG-CB 3.33Å; S288-E291 VanDerWaalsContact OG-CD 3.24Å; S288-E291 WeakPolarHBondContact OG-CG 3.4Å; S288-E291 PolarHBondContact OG-N 3.18Å; S288-E291 PolarHBondContact OG-OE2 3.03Å; E291-L293 VanDerWaalsContact C-N 3.28Å; E291-L293 PolarHBondContact O-N 2.9Å; E291-F294 WeakPolarHBondContact O-CB 3.09Å; E291-F294 PolarHBondContact O-N 3.11Å; E291-F294 VanDerWaalsContact O-N 3.11Å
292A78.4Confident82.2Confident0 Ų073 Ų730%036%0.363CS..Hα-helixtrans-62.7-34.2177.800000112.6P226 I287 S288 K289 E290 F294 C295 M303P226-A292 HydrophobicContact CB-CB 4.37Å; P226-A292 HydrophobicContact CG-CB 4.21Å; I287-A292 HydrophobicContact CD1-CB 3.63Å; I287-A292 HydrophobicContact CG1-CB 4.28Å; S288-A292 PolarHBondContact O-N 2.83Å; K289-A292 PolarHBondContact O-N 3.21Å; E290-A292 PolarHBondContact O-N 3.03Å; A292-F294 VanDerWaalsContact C-N 3.31Å; A292-F294 PolarHBondContact O-N 2.99Å; A292-C295 VanDerWaalsContact O-CB 3.32Å; A292-C295 WeakPolarHBondContact O-CB 3.29Å; A292-C295 PolarHBondContact O-N 3.02Å; A292-M303 HydrophobicContact CB-CE 3.61Å; A292-M303 HydrophobicContact CB-SD 3.83Å
293L78.4Confident82.3Confident68 Ų6872.1 Ų72.136%0.35635%0.354SS..Hα-helixtrans-74.6-18.4176.6-73.8167.5000113.5K289 E290 E291 C295 M303K289-L293 HydrophobicContact CG-CD1 4.35Å; K289-L293 WeakPolarHBondContact O-CG 3.5Å; K289-L293 PolarHBondContact O-N 3.35Å; K289-L293 VanDerWaalsContact O-N 3.17Å; E290-L293 PolarHBondContact O-N 2.87Å; E291-L293 VanDerWaalsContact C-N 3.28Å; E291-L293 PolarHBondContact O-N 2.9Å; L293-C295 VanDerWaalsContact C-N 3.27Å; L293-M303 HydrophobicContact CD2-CB 4.43Å; L293-M303 HydrophobicContact CD2-CG 3.74Å; L293-M303 HydrophobicContact CG-CG 4.35Å
294F79.1Confident82.3Confident175 Ų17568 Ų6877%0.76834%0.336SS*.Hα-helixtrans-74.9-19.8170.4-73.3-71000112.2E290 E291 A292 R296E290-F294 WeakPolarHBondContact O-CD2 3.35Å; E290-F294 PolarHBondContact O-N 2.66Å; E291-F294 WeakPolarHBondContact O-CB 3.09Å; E291-F294 PolarHBondContact O-N 3.11Å; E291-F294 VanDerWaalsContact O-N 3.11Å; A292-F294 VanDerWaalsContact C-N 3.31Å; A292-F294 PolarHBondContact O-N 2.99Å; F294-R296 PolarHBondContact O-N 3.48Å
295C71Confident82.3Confident31 Ų3166.4 Ų66.421%0.20933%0.327CS..SBendtrans-70.3110.4170.8-640000109.4A292 L293 D297 I298A292-C295 VanDerWaalsContact O-CB 3.32Å; A292-C295 WeakPolarHBondContact O-CB 3.29Å; A292-C295 PolarHBondContact O-N 3.02Å; L293-C295 VanDerWaalsContact C-N 3.27Å; C295-D297 PolarHBondContact O-N 3.45Å; C295-I298 HydrophobicContact CB-CD1 4.44Å; C295-I298 HydrophobicContact CB-CG1 4.33Å; C295-I298 PolarHBondContact O-N 2.96Å; C295-I298 VanDerWaalsContact O-N 3.08Å
296R67Low82.3Confident202 Ų20260.8 Ų60.876%0.76230%0.303SS*.THydrogen-bonded Turntrans-56.3-24.2-178.9-65.2-177.2179.8178.6-0114.1F294 I298 D690F294-R296 PolarHBondContact O-N 3.48Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 2.84Å; R296-D690 IonicContact NH1-OD2 2.69Å; R296-D690 PolarHBondContact NH1-OD2 2.72Å
297D72.6Confident82.4Confident85 Ų8559.3 Ų59.346%0.45529%0.29SS..THydrogen-bonded Turntrans-75.2-16-178-72.9-21.2000113.3H211 K214 C295H211-D297 IonicContact ND1-OD2 2.67Å; K214-D297 VanDerWaalsContact NZ-CG 3.27Å; K214-D297 IonicContact NZ-OD1 3.41Å; K214-D297 PolarHBondContact NZ-OD1 3Å; K214-D297 IonicContact NZ-OD2 3.75Å; K214-D297 PolarHBondContact NZ-OD2 3.1Å; C295-D297 PolarHBondContact O-N 3.45Å
298I79.4Confident82.5Confident13 Ų1358.9 Ų58.97%0.06729%0.287CS..  trans-109.4114.5-177.7-41.4179.7000110.6H211 C295 R296 A302 M303 L306H211-I298 HydrophobicContact CB-CG1 4.28Å; C295-I298 HydrophobicContact CB-CD1 4.44Å; C295-I298 HydrophobicContact CB-CG1 4.33Å; C295-I298 PolarHBondContact O-N 2.96Å; C295-I298 VanDerWaalsContact O-N 3.08Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 2.84Å; I298-A302 HydrophobicContact CG2-CB 3.89Å; I298-M303 HydrophobicContact CB-CG 4.41Å; I298-M303 HydrophobicContact CB-SD 4.34Å; I298-M303 HydrophobicContact CD1-SD 4.25Å; I298-M303 HydrophobicContact CG2-CG 3.58Å; I298-M303 HydrophobicContact CG2-SD 3.57Å; I298-M303 VanDerWaalsContact CG2-SD 3.57Å; I298-L306 HydrophobicContact CG2-CD1 4.47Å
299T83.7Confident82.6Confident87 Ų8760.2 Ų60.253%0.53430%0.297SS..  trans-76.2158.7174.865.30000111.2N301 A302 M303T299-N301 PolarHBondContact O-N 3.45Å; T299-A302 PolarHBondContact O-N 3.2Å; T299-A302 VanDerWaalsContact O-N 3.14Å; T299-A302 WeakPolarHBondContact OG1-CB 3.31Å; T299-A302 PolarHBondContact OG1-N 3.18Å; T299-A302 VanDerWaalsContact OG1-N 3.15Å; T299-M303 PolarHBondContact O-N 3.25Å
300Q85.1Confident83Confident86 Ų8657 Ų5740%0.40228%0.283SS..Hα-helixtrans-57-36.2174.5-176.961.554.600112.1M303 D304Q300-M303 PolarHBondContact O-N 3.1Å; Q300-D304 PolarHBondContact NE2-OD1 3.35Å; Q300-D304 PolarHBondContact O-N 3.24Å
301N85.4Confident83.3Confident41 Ų4154 Ų5422%0.21927%0.265CS..Hα-helixtrans-66-46.7176.4-176.118.5000111.4D104 F170 T299 M303 D304 Q305D104-N301 WeakPolarHBondContact CA-ND2 3.43Å; D104-N301 PolarHBondContact O-ND2 3.23Å; F170-N301 WeakPolarHBondContact CZ-OD1 3.3Å; T299-N301 PolarHBondContact O-N 3.45Å; N301-M303 VanDerWaalsContact C-N 3.29Å; N301-M303 PolarHBondContact O-N 2.94Å; N301-D304 PolarHBondContact O-N 3.31Å; N301-Q305 PolarHBondContact ND2-NE2 3.07Å; N301-Q305 WeakPolarHBondContact O-CG 3.47Å; N301-Q305 PolarHBondContact O-N 3.13Å; N301-Q305 PolarHBondContact OD1-NE2 2.82Å
302A86.9Confident83.6Confident13 Ų1348.9 Ų48.911%0.10724%0.241CC..Hα-helixtrans-59.3-40.817500000111.7V208 I298 T299 Q305 L306V208-A302 HydrophobicContact CG1-CB 4.16Å; I298-A302 HydrophobicContact CG2-CB 3.89Å; T299-A302 PolarHBondContact O-N 3.2Å; T299-A302 VanDerWaalsContact O-N 3.14Å; T299-A302 WeakPolarHBondContact OG1-CB 3.31Å; T299-A302 PolarHBondContact OG1-N 3.18Å; T299-A302 VanDerWaalsContact OG1-N 3.15Å; A302-Q305 PolarHBondContact O-N 3.46Å; A302-L306 WeakPolarHBondContact O-CB 3.22Å; A302-L306 VanDerWaalsContact O-CG 3.26Å; A302-L306 WeakPolarHBondContact O-CG 3.49Å; A302-L306 PolarHBondContact O-N 3.25Å
303M86.2Confident84Confident0 Ų051.6 Ų51.60%026%0.256CS..Hα-helixtrans-61.2-45.7174.3-76-60.8-64.800112.6P226 K289 A292 L293 I298 T299 Q300 N301 Q305 L306 L307P226-M303 HydrophobicContact CB-CE 3.83Å; P226-M303 HydrophobicContact CB-SD 4.43Å; P226-M303 HydrophobicContact CG-CE 4.04Å; P226-M303 HydrophobicContact CG-SD 3.97Å; K289-M303 HydrophobicContact CG-CE 4.06Å; A292-M303 HydrophobicContact CB-CE 3.61Å; A292-M303 HydrophobicContact CB-SD 3.83Å; L293-M303 HydrophobicContact CD2-CB 4.43Å; L293-M303 HydrophobicContact CD2-CG 3.74Å; L293-M303 HydrophobicContact CG-CG 4.35Å; I298-M303 HydrophobicContact CB-CG 4.41Å; I298-M303 HydrophobicContact CB-SD 4.34Å; I298-M303 HydrophobicContact CD1-SD 4.25Å; I298-M303 HydrophobicContact CG2-CG 3.58Å; I298-M303 HydrophobicContact CG2-SD 3.57Å; I298-M303 VanDerWaalsContact CG2-SD 3.57Å; T299-M303 PolarHBondContact O-N 3.25Å; Q300-M303 PolarHBondContact O-N 3.1Å; N301-M303 VanDerWaalsContact C-N 3.29Å; N301-M303 PolarHBondContact O-N 2.94Å; M303-Q305 VanDerWaalsContact C-N 3.28Å; M303-Q305 PolarHBondContact O-N 3.28Å; M303-L306 PolarHBondContact O-N 3.4Å; M303-L307 HydrophobicContact CE-CD1 4.23Å; M303-L307 WeakPolarHBondContact O-CB 3.4Å; M303-L307 VanDerWaalsContact O-CG 3.31Å; M303-L307 WeakPolarHBondContact O-CG 3.42Å; M303-L307 PolarHBondContact O-N 2.7Å
304D88.2Confident84.6Confident8 Ų848.4 Ų48.44%0.04324%0.239CC..Hα-helixtrans-62.9-37.7178.3-71.3-8.6000111.2L139 H167 N169 F170 Q300 N301L139-D304 HydrophobicContact CD1-CB 4.44Å; H167-D304 IonicContact CE1-OD1 3.03Å; H167-D304 IonicContact CE1-OD2 2.65Å; H167-D304 PolarHBondContact CE1-OD2 3.45Å; H167-D304 VanDerWaalsContact CE1-OD2 3.29Å; H167-D304 IonicContact ND1-OD2 3.29Å; N169-D304 PolarHBondContact ND2-OD2 3.33Å; F170-D304 HydrophobicContact CE2-CB 4.46Å; Q300-D304 PolarHBondContact NE2-OD1 3.35Å; Q300-D304 PolarHBondContact O-N 3.24Å; N301-D304 PolarHBondContact O-N 3.31Å
305Q89Confident84.9Confident2 Ų241.2 Ų41.21%0.00921%0.211CC..Hα-helixtrans-66.3-44.6174-70.4-176.750.900112.5D104 L139 L200 V208 N301 A302 M303 L307 V308D104-Q305 PolarHBondContact OD1-NE2 3.1Å; L139-Q305 HydrophobicContact CD1-CB 4.3Å; L139-Q305 HydrophobicContact CD1-CG 3.49Å; L139-Q305 VanDerWaalsContact CD1-CG 3.49Å; L200-Q305 HydrophobicContact CD1-CB 4.21Å; L200-Q305 HydrophobicContact CD2-CB 4.03Å; L200-Q305 HydrophobicContact CG-CB 4.16Å; V208-Q305 HydrophobicContact CG1-CB 4.42Å; N301-Q305 PolarHBondContact ND2-NE2 3.07Å; N301-Q305 WeakPolarHBondContact O-CG 3.47Å; N301-Q305 PolarHBondContact O-N 3.13Å; N301-Q305 PolarHBondContact OD1-NE2 2.82Å; A302-Q305 PolarHBondContact O-N 3.46Å; M303-Q305 VanDerWaalsContact C-N 3.28Å; M303-Q305 PolarHBondContact O-N 3.28Å; Q305-L307 VanDerWaalsContact C-N 3.31Å; Q305-L307 PolarHBondContact O-N 3Å; Q305-V308 WeakPolarHBondContact O-CB 3.43Å; Q305-V308 VanDerWaalsContact O-CG2 3.27Å; Q305-V308 WeakPolarHBondContact O-CG2 3.27Å; Q305-V308 PolarHBondContact O-N 3.24Å
306L89.5Confident85.7Confident1 Ų140.9 Ų40.91%0.00521%0.205CC..Hα-helixtrans-66.7-30.4179.8-73.3172.2000113.2L200 V208 F209 F212 N231 L268 I298 A302 M303 V308L200-L306 HydrophobicContact CD2-CD2 4.47Å; V208-L306 HydrophobicContact CG1-CD1 4.1Å; V208-L306 HydrophobicContact CG1-CD2 3.62Å; V208-L306 HydrophobicContact CG1-CG 3.53Å; F209-L306 HydrophobicContact CD1-CD2 4.45Å; F209-L306 HydrophobicContact CE1-CD2 4.21Å; F212-L306 HydrophobicContact CE2-CD1 4.02Å; F212-L306 HydrophobicContact CE2-CD2 3.71Å; F212-L306 HydrophobicContact CZ-CD1 3.88Å; F212-L306 HydrophobicContact CZ-CD2 4.17Å; N231-L306 PolarHBondContact ND2-O 3.06Å; L268-L306 HydrophobicContact CD1-CD2 3.85Å; L268-L306 HydrophobicContact CD2-CB 4.38Å; I298-L306 HydrophobicContact CG2-CD1 4.47Å; A302-L306 WeakPolarHBondContact O-CB 3.22Å; A302-L306 VanDerWaalsContact O-CG 3.26Å; A302-L306 WeakPolarHBondContact O-CG 3.49Å; A302-L306 PolarHBondContact O-N 3.25Å; M303-L306 PolarHBondContact O-N 3.4Å; L306-V308 VanDerWaalsContact C-N 3.28Å; L306-V308 PolarHBondContact O-N 3.36Å
307L89.6Confident86.7Confident37 Ų3731.3 Ų31.319%0.19417%0.169CC..THydrogen-bonded Turntrans-87.47.7179.2-64.7175000113.2P226 E227 K289 M303 Q305 S309P226-L307 HydrophobicContact CB-CD2 4.15Å; E227-L307 HydrophobicContact CB-CD2 4.47Å; E227-L307 HydrophobicContact CG-CD2 4.03Å; K289-L307 HydrophobicContact CD-CD1 3.99Å; K289-L307 HydrophobicContact CG-CD1 4.39Å; M303-L307 HydrophobicContact CE-CD1 4.23Å; M303-L307 WeakPolarHBondContact O-CB 3.4Å; M303-L307 VanDerWaalsContact O-CG 3.31Å; M303-L307 WeakPolarHBondContact O-CG 3.42Å; M303-L307 PolarHBondContact O-N 2.7Å; Q305-L307 VanDerWaalsContact C-N 3.31Å; Q305-L307 PolarHBondContact O-N 3Å; L307-S309 PolarHBondContact O-N 2.89Å
308V89.1Confident87.3Confident3 Ų330.9 Ų30.92%0.01816%0.163CC..  trans-60.5130.5172.6169.20000109.7L139 N231 I232 P234 Q305 L306 L310L139-V308 HydrophobicContact CD1-CG2 4.39Å; L139-V308 HydrophobicContact CD2-CG2 3.26Å; L139-V308 HydrophobicContact CG-CG2 3.62Å; N231-V308 WeakPolarHBondContact CB-O 3.41Å; N231-V308 PolarHBondContact ND2-O 2.75Å; I232-V308 VanDerWaalsContact O-O 3.07Å; P234-V308 HydrophobicContact CG-CG1 4.38Å; Q305-V308 WeakPolarHBondContact O-CB 3.43Å; Q305-V308 VanDerWaalsContact O-CG2 3.27Å; Q305-V308 WeakPolarHBondContact O-CG2 3.27Å; Q305-V308 PolarHBondContact O-N 3.24Å; L306-V308 VanDerWaalsContact C-N 3.28Å; L306-V308 PolarHBondContact O-N 3.36Å; V308-L310 HydrophobicContact CG1-CB 4.01Å; V308-L310 HydrophobicContact CG1-CD1 3.83Å; V308-L310 HydrophobicContact CG1-CG 3.85Å
309S90Very high87.6Confident78 Ų7837.6 Ų37.655%0.54519%0.194SC..  trans-125.588.5170.2-171.70000109.1I232 L307I232-S309 WeakPolarHBondContact O-CA 3.35Å; L307-S309 PolarHBondContact O-N 2.89Å
310L88.8Confident87.7Confident7 Ų737.1 Ų37.14%0.03719%0.188CC..  trans-136.9125.5-178.6-68.9172.9000110.2V138 W141 F156 I232 P234 V308 M312V138-L310 HydrophobicContact CB-CD1 4.36Å; V138-L310 WeakPolarHBondContact O-CD1 3.46Å; W141-L310 HydrophobicContact CB-CD1 3.77Å; W141-L310 HydrophobicContact CB-CD2 4.36Å; F156-L310 HydrophobicContact CD2-CD2 4.26Å; F156-L310 HydrophobicContact CE2-CD2 3.92Å; I232-L310 PolarHBondContact O-N 3.19Å; P234-L310 HydrophobicContact CG-CB 3.99Å; P234-L310 WeakPolarHBondContact CG-O 3.31Å; V308-L310 HydrophobicContact CG1-CB 4.01Å; V308-L310 HydrophobicContact CG1-CD1 3.83Å; V308-L310 HydrophobicContact CG1-CG 3.85Å; L310-M312 HydrophobicContact CB-CG 3.97Å; L310-M312 HydrophobicContact CB-SD 4.27Å; L310-M312 HydrophobicContact CD1-SD 4.19Å
311R89.8Confident87.8Confident90 Ų9033.5 Ų33.534%0.3417%0.172SC..  trans-89.2114.9165.2-69.4-177.6-178.9-173.91.9107.7E153 S155 F156 I232E153-R311 VanDerWaalsContact CA-NH1 3.3Å; E153-R311 IonicContact OE1-NH1 2.71Å; S155-R311 CarbonylContact C-O 3.21Å; S155-R311 VanDerWaalsContact CA-O 3.3Å; S155-R311 WeakPolarHBondContact CA-O 3.44Å; F156-R311 PolarHBondContact N-O 3.23Å; I232-R311 HydrophobicContact CD1-CG 3.59Å; I232-R311 HydrophobicContact CG2-CG 4.33Å
312M88.2Confident87.5Confident0 Ų037.1 Ų37.10%019%0.187CC..BIsolated β-bridgetrans-130.7150.4178.7-44.2-174.975.400110.7V138 W141 F156 P234 L259 K261 Q265 L310V138-M312 HydrophobicContact CB-SD 3.88Å; V138-M312 HydrophobicContact CG1-CE 4.29Å; V138-M312 HydrophobicContact CG1-SD 3.51Å; V138-M312 VanDerWaalsContact CG1-SD 3.51Å; W141-M312 HydrophobicContact CD2-CE 3.85Å; W141-M312 HydrophobicContact CE3-CE 4.31Å; W141-M312 HydrophobicContact CG-CE 3.96Å; W141-M312 HydrophobicContact CZ2-CE 4.37Å; F156-M312 HydrophobicContact CB-CE 4.18Å; F156-M312 HydrophobicContact CB-CG 4.27Å; F156-M312 CarbonylContact O-C 3.53Å; F156-M312 WeakPolarHBondContact O-CA 3.46Å; P234-M312 HydrophobicContact CG-CG 4.24Å; P234-M312 HydrophobicContact CG-SD 4.23Å; L259-M312 HydrophobicContact CD1-CE 3.39Å; L259-M312 HydrophobicContact CD1-SD 3.88Å; L259-M312 HydrophobicContact CD2-CB 3.72Å; L259-M312 HydrophobicContact CD2-CE 3.96Å; L259-M312 HydrophobicContact CG-CE 4.33Å; K261-M312 HydrophobicContact CD-CB 4.33Å; K261-M312 WeakPolarHBondContact CD-O 2.96Å; K261-M312 PolarHBondContact NZ-O 2.89Å; Q265-M312 PolarHBondContact NE2-O 3.09Å; L310-M312 HydrophobicContact CB-CG 3.97Å; L310-M312 HydrophobicContact CB-SD 4.27Å; L310-M312 HydrophobicContact CD1-SD 4.19Å
313N88.1Confident87.3Confident57 Ų5737.6 Ų37.631%0.30519%0.187SC..  trans-131.9117.5177.2-173.1-10.4000109.4F156 S315F156-N313 PolarHBondContact O-N 3.41Å; N313-S315 PolarHBondContact O-N 2.75Å
314A89.6Confident87.3Confident1 Ų145.5 Ų45.51%0.00822%0.222CC..  trans-8058.5177.700000111.2L259 Y316 V317 K318L259-A314 HydrophobicContact CB-CB 4.5Å; L259-A314 HydrophobicContact CD2-CB 4.36Å; L259-A314 HydrophobicContact CG-CB 4.33Å; L259-A314 VanDerWaalsContact O-CB 3.28Å; L259-A314 WeakPolarHBondContact O-CB 3.39Å; A314-Y316 PolarHBondContact O-N 3.3Å; A314-V317 HydrophobicContact CB-CB 4.3Å; A314-V317 HydrophobicContact CB-CG2 4.45Å; A314-V317 PolarHBondContact O-N 3.48Å; A314-V317 VanDerWaalsContact O-N 3.17Å; A314-K318 PolarHBondContact O-N 2.95Å
315S85.9Confident87.2Confident24 Ų2447.5 Ų47.517%0.16823%0.229CC..Hα-helixtrans-57-37.2-176.153.80000112.2N313 V317 K318 E319N313-S315 PolarHBondContact O-N 2.75Å; S315-V317 PolarHBondContact O-N 3.32Å; S315-K318 PolarHBondContact O-N 2.89Å; S315-E319 WeakPolarHBondContact O-CB 3.34Å; S315-E319 VanDerWaalsContact O-CG 3.28Å; S315-E319 WeakPolarHBondContact O-CG 3.18Å; S315-E319 PolarHBondContact O-N 3.3Å
316Y87.6Confident87Confident24 Ų2449.9 Ų49.99%0.09424%0.24CC..Hα-helixtrans-63.1-41.8179.8-172.2-103.4000112.9P253 K255 I258 A314 N320 F321P253-Y316 HydrophobicContact CB-CE1 3.74Å; P253-Y316 WeakPolarHBondContact CB-OH 3.49Å; K255-Y316 HydrophobicContact CB-CD1 4.47Å; K255-Y316 HydrophobicContact CB-CD2 4.42Å; K255-Y316 HydrophobicContact CB-CE1 4.11Å; K255-Y316 HydrophobicContact CB-CE2 4.08Å; K255-Y316 HydrophobicContact CD-CD2 3.46Å; K255-Y316 VanDerWaalsContact CD-CD2 3.46Å; K255-Y316 HydrophobicContact CD-CE2 3.74Å; K255-Y316 HydrophobicContact CD-CG 3.93Å; K255-Y316 HydrophobicContact CG-CD2 3.95Å; K255-Y316 HydrophobicContact CG-CE2 3.67Å; I258-Y316 HydrophobicContact CD1-CE1 4.33Å; I258-Y316 HydrophobicContact CG1-CD1 4.22Å; I258-Y316 HydrophobicContact CG1-CE1 4.35Å; I258-Y316 HydrophobicContact CG2-CD1 4.47Å; A314-Y316 PolarHBondContact O-N 3.3Å; Y316-N320 WeakPolarHBondContact CD2-ND2 3.38Å; Y316-N320 HydrophobicContact CE2-CB 4.41Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.26Å; Y316-N320 VanDerWaalsContact O-CB 3.3Å; Y316-N320 WeakPolarHBondContact O-CB 3.29Å; Y316-N320 PolarHBondContact O-N 3.33Å; Y316-N320 VanDerWaalsContact O-N 3.13Å; Y316-N320 PolarHBondContact O-ND2 2.87Å; Y316-F321 HydrophobicContact CE1-CE1 4.2Å; Y316-F321 HydrophobicContact CE1-CZ 4.11Å
317V88.1Confident87Confident1 Ų149.9 Ų49.91%0.00624%0.24CC..Hα-helixtrans-66.5-48.2-179.8171.10000110I244 I258 L259 A314 S315 E319 F321 I323 W325I244-V317 HydrophobicContact CD1-CG1 3.9Å; I244-V317 HydrophobicContact CD1-CG2 4.41Å; I244-V317 HydrophobicContact CG1-CG1 3.92Å; I244-V317 HydrophobicContact CG2-CG2 4.49Å; I258-V317 HydrophobicContact CG2-CG2 3.62Å; L259-V317 WeakPolarHBondContact O-CG2 3.42Å; A314-V317 HydrophobicContact CB-CB 4.3Å; A314-V317 HydrophobicContact CB-CG2 4.45Å; A314-V317 PolarHBondContact O-N 3.48Å; A314-V317 VanDerWaalsContact O-N 3.17Å; S315-V317 PolarHBondContact O-N 3.32Å; V317-E319 PolarHBondContact O-N 3.49Å; V317-F321 HydrophobicContact CB-CD2 4.29Å; V317-F321 HydrophobicContact CG1-CB 4.47Å; V317-F321 HydrophobicContact CG1-CD2 3.95Å; V317-F321 HydrophobicContact CG2-CD2 4.16Å; V317-F321 HydrophobicContact CG2-CE2 4.22Å; V317-F321 WeakPolarHBondContact O-CA 3.07Å; V317-F321 VanDerWaalsContact O-CB 3.28Å; V317-F321 WeakPolarHBondContact O-CB 3.18Å; V317-F321 PolarHBondContact O-N 3.29Å; V317-I323 HydrophobicContact CG1-CD1 4.37Å; V317-W325 HydrophobicContact CG1-CH2 4.17Å; V317-W325 HydrophobicContact CG1-CZ2 4.08Å
318K86Confident86.9Confident76 Ų7652.2 Ų52.233%0.3325%0.25SC..Hα-helixtrans-63.9-41-178.6-60.6-174.8-161.7-165.20113.5D263 A314 S315D263-K318 WeakPolarHBondContact OD1-CE 2.95Å; D263-K318 IonicContact OD1-NZ 3.77Å; D263-K318 PolarHBondContact OD1-NZ 3.45Å; D263-K318 IonicContact OD2-NZ 3.54Å; D263-K318 PolarHBondContact OD2-NZ 2.99Å; A314-K318 PolarHBondContact O-N 2.95Å; S315-K318 PolarHBondContact O-N 2.89Å
319E85.4Confident86.9Confident153 Ų15355 Ų5572%0.71527%0.267SS*.Hα-helixtrans-78.3-30.8-175.6-70.1173.8-172.300112.7S315 V317S315-E319 WeakPolarHBondContact O-CB 3.34Å; S315-E319 VanDerWaalsContact O-CG 3.28Å; S315-E319 WeakPolarHBondContact O-CG 3.18Å; S315-E319 PolarHBondContact O-N 3.3Å; V317-E319 PolarHBondContact O-N 3.49Å
320N85.7Confident86.9Confident77 Ų7751.3 Ų51.341%0.41224%0.241SC..Hα-helixtrans-111.9-20.1-170.5-58.2-78.1000114.2Y316Y316-N320 WeakPolarHBondContact CD2-ND2 3.38Å; Y316-N320 HydrophobicContact CE2-CB 4.41Å; Y316-N320 WeakPolarHBondContact CE2-ND2 3.26Å; Y316-N320 VanDerWaalsContact O-CB 3.3Å; Y316-N320 WeakPolarHBondContact O-CB 3.29Å; Y316-N320 PolarHBondContact O-N 3.33Å; Y316-N320 VanDerWaalsContact O-N 3.13Å; Y316-N320 PolarHBondContact O-ND2 2.87Å
321F85.8Confident86.9Confident11 Ų1151 Ų515%0.04824%0.24CC..  trans-109.6124.1-178.6-58-14.9000110.8I244 C247 V248 M251 P253 I258 Y316 V317 I323I244-F321 HydrophobicContact CG2-CD2 4.44Å; I244-F321 HydrophobicContact CG2-CE2 4.12Å; C247-F321 HydrophobicContact CB-CB 4.36Å; C247-F321 HydrophobicContact CB-CD1 4.23Å; C247-F321 HydrophobicContact CB-CD2 3.76Å; C247-F321 HydrophobicContact CB-CE1 4.46Å; C247-F321 HydrophobicContact CB-CE2 4.03Å; C247-F321 HydrophobicContact CB-CG 3.89Å; C247-F321 HydrophobicContact CB-CZ 4.36Å; V248-F321 HydrophobicContact CG2-CE2 3.99Å; V248-F321 HydrophobicContact CG2-CZ 3.95Å; M251-F321 HydrophobicContact CE-CB 4.07Å; M251-F321 HydrophobicContact CE-CD1 3.15Å; M251-F321 HydrophobicContact CE-CE1 3.68Å; M251-F321 HydrophobicContact CE-CG 3.75Å; M251-F321 HydrophobicContact SD-CD1 4.37Å; P253-F321 HydrophobicContact CB-CE1 4.29Å; P253-F321 HydrophobicContact CB-CZ 4.3Å; P253-F321 HydrophobicContact CG-CE1 4.47Å; P253-F321 HydrophobicContact CG-CZ 4.09Å; I258-F321 HydrophobicContact CD1-CZ 4.19Å; Y316-F321 HydrophobicContact CE1-CE1 4.2Å; Y316-F321 HydrophobicContact CE1-CZ 4.11Å; V317-F321 HydrophobicContact CB-CD2 4.29Å; V317-F321 HydrophobicContact CG1-CB 4.47Å; V317-F321 HydrophobicContact CG1-CD2 3.95Å; V317-F321 HydrophobicContact CG2-CD2 4.16Å; V317-F321 HydrophobicContact CG2-CE2 4.22Å; V317-F321 WeakPolarHBondContact O-CA 3.07Å; V317-F321 VanDerWaalsContact O-CB 3.28Å; V317-F321 WeakPolarHBondContact O-CB 3.18Å; V317-F321 PolarHBondContact O-N 3.29Å; F321-I323 HydrophobicContact CB-CG2 4.13Å; F321-I323 PolarHBondContact O-N 2.9Å
322Q80.9Confident87Confident117 Ų11748.8 Ų48.855%0.54723%0.234SC..  trans-89.684.5169.9-67.2172.4-300108.4
323I82.5Confident87.1Confident22 Ų2254 Ų5411%0.11326%0.262CS..  trans-102.6141.4176.763179.1000111.2I244 C247 V317 F321 W325I244-I323 HydrophobicContact CD1-CD1 4.48Å; I244-I323 HydrophobicContact CG1-CD1 3.87Å; C247-I323 WeakPolarHBondContact SG-CG2 3.46Å; V317-I323 HydrophobicContact CG1-CD1 4.37Å; F321-I323 HydrophobicContact CB-CG2 4.13Å; F321-I323 PolarHBondContact O-N 2.9Å; I323-W325 HydrophobicContact CD1-CD2 3.66Å; I323-W325 VanDerWaalsContact CD1-CE2 3.46Å; I323-W325 HydrophobicContact CD1-CE3 3.91Å; I323-W325 HydrophobicContact CD1-CG 4.34Å; I323-W325 HydrophobicContact CD1-CH2 3.82Å; I323-W325 HydrophobicContact CD1-CZ2 3.56Å; I323-W325 HydrophobicContact CD1-CZ3 3.98Å; I323-W325 HydrophobicContact CG1-CD2 3.8Å; I323-W325 VanDerWaalsContact CG1-CE2 3.48Å; I323-W325 HydrophobicContact CG1-CG 3.99Å; I323-W325 HydrophobicContact CG1-CZ2 3.98Å; I323-W325 PolarHBondContact O-N 3.38Å; I323-W325 VanDerWaalsContact O-N 3.11Å
324K85.1Confident87.3Confident167 Ų16754 Ų5473%0.72626%0.26SS*.  trans-74.596.3163.8-175.9175.5-177.9172.40107.4
325W86.6Confident87.3Confident49 Ų4954.7 Ų54.719%0.18626%0.263CS..  trans-65.8133.7176.7-67.596.9000110.8D240 V317 I323 E328D240-W325 HydrophobicContact CB-CE3 3.95Å; D240-W325 HydrophobicContact CB-CZ3 4.07Å; D240-W325 WeakPolarHBondContact OD1-CA 3.48Å; V317-W325 HydrophobicContact CG1-CH2 4.17Å; V317-W325 HydrophobicContact CG1-CZ2 4.08Å; I323-W325 HydrophobicContact CD1-CD2 3.66Å; I323-W325 VanDerWaalsContact CD1-CE2 3.46Å; I323-W325 HydrophobicContact CD1-CE3 3.91Å; I323-W325 HydrophobicContact CD1-CG 4.34Å; I323-W325 HydrophobicContact CD1-CH2 3.82Å; I323-W325 HydrophobicContact CD1-CZ2 3.56Å; I323-W325 HydrophobicContact CD1-CZ3 3.98Å; I323-W325 HydrophobicContact CG1-CD2 3.8Å; I323-W325 VanDerWaalsContact CG1-CE2 3.48Å; I323-W325 HydrophobicContact CG1-CG 3.99Å; I323-W325 HydrophobicContact CG1-CZ2 3.98Å; I323-W325 PolarHBondContact O-N 3.38Å; I323-W325 VanDerWaalsContact O-N 3.11Å; W325-E328 HydrophobicContact CB-CB 3.66Å; W325-E328 HydrophobicContact CB-CG 4.35Å; W325-E328 HydrophobicContact CD2-CB 4.15Å; W325-E328 HydrophobicContact CD2-CG 4.08Å; W325-E328 HydrophobicContact CE3-CB 4.48Å; W325-E328 HydrophobicContact CG-CB 3.81Å; W325-E328 HydrophobicContact CG-CG 3.96Å
326H85.6Confident87.5Confident53 Ų5358.8 Ų58.825%0.24528%0.283CS..SBendtrans-87.1-38.6170.4-168.779.4000110.9H237 R239 D240 E341H237-H326 AromaticContact CE1-CD2 3.21Å; H237-H326 PolarHBondContact CE1-CD2 3.31Å; H237-H326 AromaticContact CE1-NE2 3.69Å; H237-H326 AromaticContact ND1-CD2 3.35Å; H237-H326 PolarHBondContact ND1-CD2 2.83Å; H237-H326 VanDerWaalsContact ND1-CD2 3.35Å; H237-H326 AromaticContact ND1-CG 3.99Å; H237-H326 AromaticContact NE2-CD2 3.87Å; R239-H326 HydrophobicContact CB-CB 4.13Å; D240-H326 WeakPolarHBondContact OD1-CB 3.36Å; D240-H326 PolarHBondContact OD1-N 3.08Å; H326-E341 IonicContact CD2-OE1 3.96Å; H326-E341 IonicContact CE1-OE1 3.67Å; H326-E341 IonicContact NE2-OE1 2.66Å; H326-E341 PolarHBondContact NE2-OE1 2.96Å
327C88.4Confident87.6Confident0 Ų060.5 Ų60.50%029%0.294CS..SBendtrans-140.363.5177.6-63.30000112Y202 H237 D240 T329 G330Y202-C327 HydrophobicContact CE2-CB 4.29Å; Y202-C327 WeakPolarHBondContact OH-CB 3.49Å; H237-C327 HydrophobicContact CB-CB 4.02Å; D240-C327 PolarHBondContact OD2-N 3.19Å; C327-T329 PolarHBondContact O-N 3.23Å; C327-G330 PolarHBondContact O-N 3.38Å; C327-G330 VanDerWaalsContact O-N 3.12Å
328E88.5Confident87.8Confident87 Ų8760.5 Ų60.541%0.40729%0.294SS..THydrogen-bonded Turntrans-56.9-47.4-179-169174-179.500112.5D263 W325 G330D263-E328 VanDerWaalsContact CB-O 3.31Å; D263-E328 WeakPolarHBondContact CB-O 3.32Å; D263-E328 PolarHBondContact N-O 3.41Å; W325-E328 HydrophobicContact CB-CB 3.66Å; W325-E328 HydrophobicContact CB-CG 4.35Å; W325-E328 HydrophobicContact CD2-CB 4.15Å; W325-E328 HydrophobicContact CD2-CG 4.08Å; W325-E328 HydrophobicContact CE3-CB 4.48Å; W325-E328 HydrophobicContact CG-CB 3.81Å; W325-E328 HydrophobicContact CG-CG 3.96Å; E328-G330 PolarHBondContact O-N 2.81Å
329T89.2Confident87.9Confident62 Ų6257.2 Ų57.238%0.3828%0.28SS..THydrogen-bonded Turntrans-79.40.9-17868.70000113.6S264 C327 D333 H334S264-T329 VanDerWaalsContact CB-O 3.31Å; S264-T329 WeakPolarHBondContact CB-O 3.44Å; C327-T329 PolarHBondContact O-N 3.23Å; T329-D333 WeakPolarHBondContact CB-OD2 3.4Å; T329-D333 VanDerWaalsContact OG1-CB 3.29Å; T329-D333 WeakPolarHBondContact OG1-CB 3.49Å; T329-D333 PolarHBondContact OG1-OD2 2.88Å; T329-H334 PolarHBondContact OG1-CE1 2.81Å; T329-H334 VanDerWaalsContact OG1-CE1 3.24Å
330G88.7Confident88.1Confident0 Ų055 Ų550%027%0.268CS..  trans89.8-167.2175.200000115.3Y202 D262 C327 E328 H334Y202-G330 WeakPolarHBondContact OH-CA 3.27Å; D262-G330 WeakPolarHBondContact OD2-CA 3.34Å; C327-G330 PolarHBondContact O-N 3.38Å; C327-G330 VanDerWaalsContact O-N 3.12Å; E328-G330 PolarHBondContact O-N 2.81Å; G330-H334 PolarHBondContact O-ND1 3.47Å; G330-H334 VanDerWaalsContact O-ND1 3.14Å
331L90.1Very high88.2Confident1 Ų152.2 Ų52.21%0.00525%0.253CS..THydrogen-bonded Turntrans-70.1-32.9-169.9176.660.4000114.6Y202 F209 I271 I335 I338Y202-L331 HydrophobicContact CD2-CB 4.31Å; Y202-L331 HydrophobicContact CD2-CD1 3.73Å; Y202-L331 HydrophobicContact CD2-CG 4.47Å; Y202-L331 HydrophobicContact CE1-CB 4.27Å; Y202-L331 HydrophobicContact CE2-CB 4.04Å; Y202-L331 HydrophobicContact CE2-CD1 4.02Å; Y202-L331 HydrophobicContact CG-CD1 4.31Å; Y202-L331 PolarHBondContact OH-N 3.08Å; F209-L331 HydrophobicContact CE2-CD2 4.48Å; I271-L331 HydrophobicContact CG2-CD2 3.49Å; I271-L331 VanDerWaalsContact CG2-CD2 3.49Å; L331-I335 HydrophobicContact CD1-CD1 4.1Å; L331-I335 HydrophobicContact CG-CD1 4.43Å; L331-I335 WeakPolarHBondContact O-CA 3.31Å; L331-I335 PolarHBondContact O-N 2.87Å; L331-I335 VanDerWaalsContact O-N 3.07Å; L331-I338 HydrophobicContact CD1-CB 3.98Å; L331-I338 HydrophobicContact CD1-CG1 3.77Å; L331-I338 HydrophobicContact CD1-CG2 3.8Å
332I91.5Very high88.4Confident43 Ų4351.7 Ų51.722%0.22125%0.25CS..THydrogen-bonded Turntrans-68.7-48.1-172.9-66.4-174.7000111.2N266 E270 I271 A274 H334 I335N266-I332 HydrophobicContact CB-CD1 3.74Å; N266-I332 HydrophobicContact CB-CG1 4.45Å; N266-I332 WeakPolarHBondContact ND2-CD1 3.34Å; N266-I332 WeakPolarHBondContact ND2-CG1 3.27Å; E270-I332 HydrophobicContact CB-CD1 3.61Å; I271-I332 HydrophobicContact CG1-CD1 4.5Å; I271-I332 HydrophobicContact CG1-CG1 4.42Å; A274-I332 HydrophobicContact CB-CG1 4.18Å; A274-I332 HydrophobicContact CB-CG2 4.25Å; I332-H334 VanDerWaalsContact C-N 3.32Å; I332-H334 PolarHBondContact O-N 3.33Å; I332-I335 WeakPolarHBondContact O-CB 3.22Å; I332-I335 WeakPolarHBondContact O-CG2 3.49Å; I332-I335 PolarHBondContact O-N 2.96Å
333D90.9Very high88.7Confident108 Ų10847.4 Ų47.458%0.57823%0.23SC*.THydrogen-bonded Turntrans-68.9-35.6-178.2-62.6-17000111.3T329 I335T329-D333 WeakPolarHBondContact CB-OD2 3.4Å; T329-D333 VanDerWaalsContact OG1-CB 3.29Å; T329-D333 WeakPolarHBondContact OG1-CB 3.49Å; T329-D333 PolarHBondContact OG1-OD2 2.88Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.23Å
334H90.8Very high88.9Confident58 Ų5849.7 Ų49.727%0.26924%0.242SC..THydrogen-bonded Turntrans-9416.9-179.1-60.990.3000113.4T329 G330 I332 N336 L337 I338T329-H334 PolarHBondContact OG1-CE1 2.81Å; T329-H334 VanDerWaalsContact OG1-CE1 3.24Å; G330-H334 PolarHBondContact O-ND1 3.47Å; G330-H334 VanDerWaalsContact O-ND1 3.14Å; I332-H334 VanDerWaalsContact C-N 3.32Å; I332-H334 PolarHBondContact O-N 3.33Å; H334-N336 PolarHBondContact O-N 3.02Å; H334-N336 VanDerWaalsContact O-N 3.1Å; H334-L337 WeakPolarHBondContact O-CB 3.4Å; H334-L337 PolarHBondContact O-N 2.97Å; H334-I338 WeakPolarHBondContact O-CG1 3.28Å; H334-I338 PolarHBondContact O-N 3.43Å
335I90.6Very high88.8Confident16 Ų1643 Ų438%0.08222%0.216CC..Hα-helixtrans-59-32.8-171.3-16958.9000113.1F213 A274 I275 L331 I332 D333 T339F213-I335 HydrophobicContact CZ-CD1 4.31Å; A274-I335 HydrophobicContact CB-CG1 4.21Å; I275-I335 HydrophobicContact CG1-CD1 3.77Å; L331-I335 HydrophobicContact CD1-CD1 4.1Å; L331-I335 HydrophobicContact CG-CD1 4.43Å; L331-I335 WeakPolarHBondContact O-CA 3.31Å; L331-I335 PolarHBondContact O-N 2.87Å; L331-I335 VanDerWaalsContact O-N 3.07Å; I332-I335 WeakPolarHBondContact O-CB 3.22Å; I332-I335 WeakPolarHBondContact O-CG2 3.49Å; I332-I335 PolarHBondContact O-N 2.96Å; D333-I335 VanDerWaalsContact C-N 3.34Å; D333-I335 PolarHBondContact O-N 3.23Å; I335-T339 WeakPolarHBondContact O-CB 3.42Å; I335-T339 PolarHBondContact O-N 3.45Å; I335-T339 PolarHBondContact O-OG1 3.48Å
336N89.6Confident88.8Confident109 Ų10944.3 Ų44.358%0.58322%0.221SC*.Hα-helixtrans-67.9-41.2177.8-71.3-34.6000111.8H334 T339 K340H334-N336 PolarHBondContact O-N 3.02Å; H334-N336 VanDerWaalsContact O-N 3.1Å; N336-T339 PolarHBondContact O-N 3.1Å; N336-K340 WeakPolarHBondContact O-CG 3.31Å; N336-K340 PolarHBondContact O-N 2.84Å
337L89.9Confident88.6Confident61 Ų6146.9 Ų46.932%0.31923%0.233SC..Hα-helixtrans-64.4-50.8176-178.366.3000110.3H334 T339 K340 E341H334-L337 WeakPolarHBondContact O-CB 3.4Å; H334-L337 PolarHBondContact O-N 2.97Å; L337-T339 VanDerWaalsContact C-N 3.28Å; L337-T339 PolarHBondContact O-N 3.45Å; L337-K340 WeakPolarHBondContact O-CA 3.15Å; L337-K340 WeakPolarHBondContact O-CB 3.44Å; L337-K340 PolarHBondContact O-N 3.42Å; L337-E341 PolarHBondContact O-N 2.75Å
338I91.1Very high88.5Confident0 Ų047.2 Ų47.20%024%0.235CC..Hα-helixtrans-61.2-38.9178.6-58.4-53.4000111.4Y202 E206 F213 L331 H334 K340 E341 Y342Y202-I338 HydrophobicContact CD2-CD1 3.99Å; Y202-I338 HydrophobicContact CD2-CG1 4.15Å; Y202-I338 HydrophobicContact CE2-CD1 3.96Å; Y202-I338 HydrophobicContact CE2-CG1 4.13Å; E206-I338 WeakPolarHBondContact OE1-CG2 3.42Å; F213-I338 HydrophobicContact CZ-CG2 3.92Å; L331-I338 HydrophobicContact CD1-CB 3.98Å; L331-I338 HydrophobicContact CD1-CG1 3.77Å; L331-I338 HydrophobicContact CD1-CG2 3.8Å; H334-I338 WeakPolarHBondContact O-CG1 3.28Å; H334-I338 PolarHBondContact O-N 3.43Å; I338-K340 VanDerWaalsContact C-N 3.31Å; I338-K340 PolarHBondContact O-N 3.31Å; I338-E341 PolarHBondContact O-N 2.91Å; I338-Y342 VanDerWaalsContact O-CB 3.3Å; I338-Y342 WeakPolarHBondContact O-CB 3.31Å; I338-Y342 PolarHBondContact O-N 3.47Å
339T89.1Confident88.3Confident8 Ų843.3 Ų43.35%0.04922%0.217CC..Hα-helixtrans-63.1-37.1174.5-59.90000111.8S278 M279 I335 N336 L337 K343S278-T339 PolarHBondContact OG-OG1 3Å; M279-T339 HydrophobicContact CG-CG2 3.83Å; M279-T339 HydrophobicContact SD-CG2 4.18Å; I335-T339 WeakPolarHBondContact O-CB 3.42Å; I335-T339 PolarHBondContact O-N 3.45Å; I335-T339 PolarHBondContact O-OG1 3.48Å; N336-T339 PolarHBondContact O-N 3.1Å; L337-T339 VanDerWaalsContact C-N 3.28Å; L337-T339 PolarHBondContact O-N 3.45Å; T339-K343 HydrophobicContact CG2-CD 4.3Å; T339-K343 WeakPolarHBondContact O-CG 3.3Å; T339-K343 PolarHBondContact O-N 3.09Å; T339-K343 VanDerWaalsContact O-N 3.11Å
340K88.6Confident88.2Confident105 Ų10540.9 Ų40.946%0.45720%0.202SC..Hα-helixtrans-66.8-47.4174.3-69.7171.9-170174.90110.7N336 L337 I338 Y342 K343 L344 L549N336-K340 WeakPolarHBondContact O-CG 3.31Å; N336-K340 PolarHBondContact O-N 2.84Å; L337-K340 WeakPolarHBondContact O-CA 3.15Å; L337-K340 WeakPolarHBondContact O-CB 3.44Å; L337-K340 PolarHBondContact O-N 3.42Å; I338-K340 VanDerWaalsContact C-N 3.31Å; I338-K340 PolarHBondContact O-N 3.31Å; K340-Y342 VanDerWaalsContact C-N 3.34Å; K340-Y342 PolarHBondContact O-N 2.91Å; K340-K343 PolarHBondContact O-N 2.67Å; K340-L344 WeakPolarHBondContact O-CG 3.39Å; K340-L344 PolarHBondContact O-N 3.08Å; K340-L549 HydrophobicContact CB-CD1 4.27Å; K340-L549 HydrophobicContact CG-CD1 4.08Å
341E88.7Confident88.1Confident20 Ų2041.4 Ų41.49%0.09321%0.205CC..Hα-helixtrans-57.8-46.2177-69-176.2-176.100111.6E204 H237 H326 L337 I338 K343 L344 S345E204-E341 PolarHBondContact N-OE2 2.8Å; H237-E341 IonicContact CE1-OE2 3.01Å; H237-E341 IonicContact NE2-OE2 3.02Å; H237-E341 PolarHBondContact NE2-OE2 2.84Å; H326-E341 IonicContact CD2-OE1 3.96Å; H326-E341 IonicContact CE1-OE1 3.67Å; H326-E341 IonicContact NE2-OE1 2.66Å; H326-E341 PolarHBondContact NE2-OE1 2.96Å; L337-E341 PolarHBondContact O-N 2.75Å; I338-E341 PolarHBondContact O-N 2.91Å; E341-K343 PolarHBondContact O-N 3.32Å; E341-L344 PolarHBondContact O-N 2.82Å; E341-S345 WeakPolarHBondContact O-CB 3.41Å; E341-S345 PolarHBondContact O-N 3.05Å; E341-S345 PolarHBondContact O-OG 3.32Å; E341-S345 VanDerWaalsContact O-OG 3.05Å
342Y89.5Confident88.1Confident0 Ų042.1 Ų42.10%021%0.207CC..Hα-helixtrans-58.9-43.8176-178.6-102.2000113.3E204 K205 E206 H210 F213 I338 K340 S345 R346 L348 Y686E204-Y342 WeakPolarHBondContact O-CA 3.46Å; E204-Y342 PolarHBondContact O-N 3.23Å; K205-Y342 WeakPolarHBondContact O-CD2 3.26Å; K205-Y342 VanDerWaalsContact O-CE2 3.31Å; K205-Y342 WeakPolarHBondContact O-CE2 3.48Å; E206-Y342 HydrophobicContact CB-CD2 3.95Å; E206-Y342 HydrophobicContact CB-CE2 4.01Å; E206-Y342 HydrophobicContact CG-CD2 3.55Å; E206-Y342 HydrophobicContact CG-CE2 4.06Å; E206-Y342 HydrophobicContact CG-CG 4.41Å; H210-Y342 PolarHBondContact CE1-OH 3.31Å; H210-Y342 AromaticContact ND1-CE2 3.9Å; H210-Y342 AromaticContact ND1-CZ 3.84Å; H210-Y342 PolarHBondContact ND1-OH 3.31Å; F213-Y342 HydrophobicContact CB-CD1 4.1Å; F213-Y342 HydrophobicContact CB-CD2 4.38Å; F213-Y342 HydrophobicContact CB-CE1 3.56Å; F213-Y342 HydrophobicContact CB-CE2 3.87Å; F213-Y342 HydrophobicContact CB-CG 4.45Å; F213-Y342 WeakPolarHBondContact CB-OH 3.44Å; F213-Y342 AromaticContact CD1-CD1 3.84Å; F213-Y342 HydrophobicContact CD1-CD1 3.84Å; F213-Y342 HydrophobicContact CD1-CD2 4.48Å; F213-Y342 HydrophobicContact CD1-CE1 4.17Å; F213-Y342 AromaticContact CD1-CG 3.98Å; F213-Y342 HydrophobicContact CD1-CG 3.98Å; F213-Y342 HydrophobicContact CG-CD1 4.23Å; F213-Y342 HydrophobicContact CG-CD2 4.34Å; F213-Y342 HydrophobicContact CG-CE1 4.19Å; F213-Y342 HydrophobicContact CG-CE2 4.28Å; F213-Y342 HydrophobicContact CG-CG 4.28Å; I338-Y342 VanDerWaalsContact O-CB 3.3Å; I338-Y342 WeakPolarHBondContact O-CB 3.31Å; I338-Y342 PolarHBondContact O-N 3.47Å; K340-Y342 VanDerWaalsContact C-N 3.34Å; K340-Y342 PolarHBondContact O-N 2.91Å; Y342-S345 PolarHBondContact O-OG 3.06Å; Y342-R346 HydrophobicContact CE2-CG 4.48Å; Y342-R346 PolarHBondContact O-N 3.43Å; Y342-L348 HydrophobicContact CD1-CD1 4.3Å; Y342-L348 HydrophobicContact CE1-CD1 3.78Å; Y342-Y686 PolarHBondContact OH-OH 3.32Å
343K88.6Confident88.1Confident27 Ų2740.1 Ų40.112%0.11720%0.197CC..Hα-helixtrans-64.4-45.7177.7-73.5171.4-177.7-178.40111.5W217 T339 K340 E341 Q347 L348 N458 L549W217-K343 HydrophobicContact CZ3-CD 4.19Å; W217-K343 HydrophobicContact CZ3-CG 3.92Å; T339-K343 HydrophobicContact CG2-CD 4.3Å; T339-K343 WeakPolarHBondContact O-CG 3.3Å; T339-K343 PolarHBondContact O-N 3.09Å; T339-K343 VanDerWaalsContact O-N 3.11Å; K340-K343 PolarHBondContact O-N 2.67Å; E341-K343 PolarHBondContact O-N 3.32Å; K343-Q347 CarbonylContact O-C 3.53Å; K343-Q347 PolarHBondContact O-N 3.02Å; K343-Q347 VanDerWaalsContact O-N 3.1Å; K343-L348 HydrophobicContact CB-CB 4.49Å; K343-L348 PolarHBondContact O-N 3Å; K343-N458 PolarHBondContact NZ-OD1 2.85Å; K343-L549 HydrophobicContact CB-CD1 4.26Å; K343-L549 HydrophobicContact CB-CD2 4.12Å; K343-L549 HydrophobicContact CD-CD1 3.91Å; K343-L549 HydrophobicContact CD-CD2 4.22Å
344L86.8Confident88Confident69 Ų6935 Ų3536%0.36117%0.17SC..Hα-helixtrans-70.4-45.7-177.3-69.2174.6000112.2K340 E341 R346 Q347 L549K340-L344 WeakPolarHBondContact O-CG 3.39Å; K340-L344 PolarHBondContact O-N 3.08Å; E341-L344 PolarHBondContact O-N 2.82Å; L344-R346 PolarHBondContact O-N 3.1Å; L344-Q347 PolarHBondContact O-N 2.99Å; L344-L549 HydrophobicContact CD2-CG 4.18Å
345S83.3Confident88.1Confident26 Ų2632.2 Ų32.218%0.18216%0.157CC..Hα-helixtrans-63.3-29.5-177.3720000113E204 K205 E341 Y342E204-S345 PolarHBondContact O-OG 2.82Å; K205-S345 VanDerWaalsContact CA-OG 3.27Å; K205-S345 WeakPolarHBondContact CA-OG 3.27Å; K205-S345 WeakPolarHBondContact CE-O 3.28Å; K205-S345 WeakPolarHBondContact CG-OG 3.19Å; K205-S345 PolarHBondContact N-OG 3.21Å; E341-S345 WeakPolarHBondContact O-CB 3.41Å; E341-S345 PolarHBondContact O-N 3.05Å; E341-S345 PolarHBondContact O-OG 3.32Å; E341-S345 VanDerWaalsContact O-OG 3.05Å; Y342-S345 PolarHBondContact O-OG 3.06Å
346R84.8Confident88Confident77 Ų7731.7 Ų31.729%0.29115%0.154SC..THydrogen-bonded Turntrans-100.24.7175-63.9-160.9177.5-131.83.4114.3K205 E206 H210 Y342 L344 L348 Y686K205-R346 HydrophobicContact CB-CG 4.43Å; K205-R346 HydrophobicContact CG-CG 4.25Å; K205-R346 VanDerWaalsContact O-CZ 3.24Å; K205-R346 PolarHBondContact O-NE 3.02Å; K205-R346 PolarHBondContact O-NH2 2.86Å; E206-R346 PolarHBondContact O-NH2 2.91Å; H210-R346 PolarHBondContact CE1-NH1 2.94Å; H210-R346 PolarHBondContact ND1-NH1 2.81Å; H210-R346 PolarHBondContact ND1-NH2 3.41Å; H210-R346 VanDerWaalsContact ND1-NH2 3.19Å; H210-R346 PolarHBondContact NE2-NH1 3.09Å; H210-R346 VanDerWaalsContact NE2-NH1 3.19Å; Y342-R346 HydrophobicContact CE2-CG 4.48Å; Y342-R346 PolarHBondContact O-N 3.43Å; L344-R346 PolarHBondContact O-N 3.1Å; R346-L348 HydrophobicContact CB-CD1 4.12Å; R346-L348 HydrophobicContact CB-CG 3.91Å; R346-L348 PolarHBondContact O-N 3.32Å; R346-Y686 WeakPolarHBondContact CD-OH 3.39Å
347Q83.2Confident87.8Confident108 Ų10826.7 Ų26.751%0.50513%0.128SC..THydrogen-bonded Turntrans57.128.5-178.5-55.4174.9-0.500113.7K343 L344 I349 I545K343-Q347 CarbonylContact O-C 3.53Å; K343-Q347 PolarHBondContact O-N 3.02Å; K343-Q347 VanDerWaalsContact O-N 3.1Å; L344-Q347 PolarHBondContact O-N 2.99Å; Q347-I349 PolarHBondContact O-N 3.06Å; Q347-I545 HydrophobicContact CB-CG2 4.35Å; Q347-I545 HydrophobicContact CG-CG2 4.48Å; Q347-I545 VanDerWaalsContact OE1-CD1 3.23Å
348L84.5Confident87.5Confident6 Ų624.1 Ų24.13%0.03112%0.116CC..  trans-78.271.9175-62.5175.5000109.8W217 Y342 K343 R346 R684 Y686W217-L348 HydrophobicContact CD2-CD1 4.16Å; W217-L348 HydrophobicContact CE3-CB 4.49Å; W217-L348 HydrophobicContact CE3-CD1 4.26Å; W217-L348 HydrophobicContact CH2-CB 3.61Å; W217-L348 WeakPolarHBondContact CH2-O 3.29Å; W217-L348 HydrophobicContact CZ2-CB 3.84Å; W217-L348 HydrophobicContact CZ2-CD2 4.22Å; W217-L348 HydrophobicContact CZ2-CG 4.46Å; W217-L348 HydrophobicContact CZ3-CB 3.97Å; Y342-L348 HydrophobicContact CD1-CD1 4.3Å; Y342-L348 HydrophobicContact CE1-CD1 3.78Å; K343-L348 HydrophobicContact CB-CB 4.49Å; K343-L348 PolarHBondContact O-N 3Å; R346-L348 HydrophobicContact CB-CD1 4.12Å; R346-L348 HydrophobicContact CB-CG 3.91Å; R346-L348 PolarHBondContact O-N 3.32Å; L348-R684 WeakPolarHBondContact CD2-O 3.27Å; L348-Y686 HydrophobicContact CD1-CE2 3.69Å; L348-Y686 HydrophobicContact CD2-CD2 4.29Å; L348-Y686 HydrophobicContact CD2-CE2 3.98Å; L348-Y686 HydrophobicContact CG-CE2 4.49Å
349I85Confident87.1Confident5 Ų524.6 Ų24.63%0.02612%0.119CC..  trans-103.9124.6-175.6-55.5-178.8000109.1Q347 I351 I545 P546Q347-I349 PolarHBondContact O-N 3.06Å; I349-I351 PolarHBondContact O-N 3.5Å; I349-I545 HydrophobicContact CD1-CG2 3.5Å; I349-I545 VanDerWaalsContact CD1-CG2 3.5Å; I349-P546 HydrophobicContact CD1-CB 4.15Å; I349-P546 WeakPolarHBondContact CD1-O 3.44Å; I349-P546 HydrophobicContact CG2-CB 4.41Å; I349-P546 HydrophobicContact CG2-CG 4.26Å
350P86.7Confident86.7Confident12 Ų1224.7 Ų24.78%0.07812%0.12CC..  trans-60.1132.8-176.919.2-29.5000111.8N458 Q459 P550P350-N458 WeakPolarHBondContact CB-O 3.43Å; P350-Q459 VanDerWaalsContact CA-O 3.3Å; P350-Q459 WeakPolarHBondContact CA-O 3.41Å; P350-P550 HydrophobicContact CG-CG 3.61Å
351I87.4Confident86.5Confident11 Ų1119.7 Ų19.76%0.05610%0.098CC..EExtended strand (participates in β ladder)trans-99.6111.7175.6-64.4174000108.2I349 L353 Y374 L376 Q459 G460 Y461 I680 R684I349-I351 PolarHBondContact O-N 3.5Å; I351-L353 HydrophobicContact CG2-CD1 3.76Å; I351-L353 HydrophobicContact CG2-CD2 4.15Å; I351-L353 HydrophobicContact CG2-CG 3.73Å; I351-Y374 HydrophobicContact CD1-CD1 3.59Å; I351-Y374 HydrophobicContact CD1-CE1 3.89Å; I351-Y374 HydrophobicContact CD1-CG 4.37Å; I351-L376 HydrophobicContact CB-CD1 3.87Å; I351-L376 HydrophobicContact CG2-CD1 3.93Å; I351-Q459 PolarHBondContact N-O 3.3Å; I351-Q459 VanDerWaalsContact N-O 3.13Å; I351-G460 CarbonylContact O-C 3.52Å; I351-G460 VanDerWaalsContact O-CA 3.25Å; I351-G460 WeakPolarHBondContact O-CA 3.21Å; I351-Y461 PolarHBondContact O-N 3.38Å; I351-I680 HydrophobicContact CD1-CG2 4.32Å; I351-I680 HydrophobicContact CG2-CG2 4.31Å; I351-R684 HydrophobicContact CD1-CB 4.22Å; I351-R684 HydrophobicContact CD1-CG 4.07Å
352R89.6Confident86.2Confident16 Ų1619.3 Ų19.36%0.0610%0.1CC..EExtended strand (participates in β ladder)trans-113.8111-177.6-60.1178.4-171.7149.9-0.4110.1Y461 P550 G552 L554 A556R352-Y461 WeakPolarHBondContact CA-O 3.11Å; R352-Y461 HydrophobicContact CB-CE1 3.98Å; R352-Y461 HydrophobicContact CB-CE2 4.1Å; R352-Y461 HydrophobicContact CG-CD1 4.05Å; R352-Y461 HydrophobicContact CG-CE1 3.62Å; R352-P550 PolarHBondContact NH1-O 2.86Å; R352-P550 PolarHBondContact NH2-O 2.99Å; R352-G552 PolarHBondContact NH1-O 2.92Å; R352-G552 PolarHBondContact NH2-O 3.4Å; R352-G552 VanDerWaalsContact NH2-O 3.16Å; R352-L554 WeakPolarHBondContact CD-O 3.46Å; R352-A556 PolarHBondContact O-N 3.3Å
353L90.6Very high86.1Confident1 Ų121.1 Ų21.11%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-125.6147.6-174.2-54.9173.7000110.8I351 Y461 I462 I463 Y557 F559 I680I351-L353 HydrophobicContact CG2-CD1 3.76Å; I351-L353 HydrophobicContact CG2-CD2 4.15Å; I351-L353 HydrophobicContact CG2-CG 3.73Å; L353-Y461 PolarHBondContact N-O 2.9Å; L353-I462 HydrophobicContact CB-CG1 4.3Å; L353-I462 HydrophobicContact CB-CG2 4.49Å; L353-I462 HydrophobicContact CD1-CD1 4.16Å; L353-I462 HydrophobicContact CD1-CG1 4.31Å; L353-I462 WeakPolarHBondContact O-CA 3.43Å; L353-I463 PolarHBondContact O-N 3.4Å; L353-Y557 HydrophobicContact CD2-CD2 3.87Å; L353-Y557 HydrophobicContact CD2-CG 4.49Å; L353-F559 HydrophobicContact CD1-CE2 4.29Å; L353-F559 HydrophobicContact CD2-CE2 3.93Å; L353-I680 HydrophobicContact CD1-CD1 3.68Å; L353-I680 HydrophobicContact CD2-CD1 4.44Å
354C90.7Very high86.1Confident0 Ų022.1 Ų22.10%012%0.116CC..EExtended strand (participates in β ladder)trans-125.3128.6171.7-176.50000109.1Y466 P555 Y557 V558 F559C354-Y466 PolarHBondContact SG-O 3Å; C354-Y466 VanDerWaalsContact SG-O 3.4Å; C354-P555 HydrophobicContact CB-CB 4.08Å; C354-P555 HydrophobicContact CB-CG 4.18Å; C354-Y557 PolarHBondContact N-O 3.29Å; C354-Y557 VanDerWaalsContact N-O 3.08Å; C354-V558 HydrophobicContact CB-CG1 4.4Å; C354-V558 HydrophobicContact CB-CG2 4.07Å; C354-V558 CarbonylContact O-C 3.31Å; C354-V558 WeakPolarHBondContact O-CA 3.26Å; C354-F559 PolarHBondContact O-N 3.29Å
355I91Very high86.1Confident0 Ų021.6 Ų21.60%012%0.116CC..EExtended strand (participates in β ladder)trans-112.2113.2178.6-59.1171.8000108.5K363 A367 L370 I462 I463 G465 F559 L561I355-K363 HydrophobicContact CG2-CB 3.93Å; I355-A367 HydrophobicContact CD1-CB 3.83Å; I355-L370 HydrophobicContact CD1-CD1 3.74Å; I355-I462 HydrophobicContact CD1-CG2 3.67Å; I355-I462 HydrophobicContact CG1-CG2 4.16Å; I355-I463 PolarHBondContact N-O 3.17Å; I355-G465 PolarHBondContact O-N 3.47Å; I355-F559 HydrophobicContact CG1-CD2 4.43Å; I355-L561 HydrophobicContact CG2-CD1 4.06Å; I355-L561 HydrophobicContact CG2-CG 4.32Å
356L88.7Confident86.4Confident4 Ų420.3 Ų20.32%0.02111%0.107CC..EExtended strand (participates in β ladder)trans-111.3151.4177.5-59.9-179.7000109.8V558 F559 L561 V645 F649L356-V558 HydrophobicContact CD1-CG1 3.64Å; L356-V558 HydrophobicContact CG-CG1 3.98Å; L356-F559 PolarHBondContact N-O 3.33Å; L356-F559 VanDerWaalsContact O-O 3.11Å; L356-L561 WeakPolarHBondContact O-CB 3.42Å; L356-L561 PolarHBondContact O-N 3Å; L356-V645 HydrophobicContact CD1-CG1 3.93Å; L356-F649 HydrophobicContact CD1-CE2 4.01Å
357G85.8Confident86.7Confident4 Ų416.7 Ų16.74%0.0419%0.093CC..  trans170.9158.1-179.200000114K363 Y597G357-K363 PolarHBondContact O-NZ 3.39Å; G357-K363 VanDerWaalsContact O-NZ 3.1Å; G357-Y597 VanDerWaalsContact CA-OH 3.26Å; G357-Y597 WeakPolarHBondContact CA-OH 3.21Å; G357-Y597 PolarHBondContact N-OH 3.16Å; G357-Y597 WeakPolarHBondContact O-CE2 3.36Å
358P84.7Confident87.1Confident8 Ų816.4 Ų16.45%0.0529%0.09CC..  trans-61.5160.4-179.224.5-30.2000111.7S361 K363 L561 L568 L594 Y597P358-S361 WeakPolarHBondContact O-CB 3.36Å; P358-S361 PolarHBondContact O-N 2.94Å; P358-S361 PolarHBondContact O-OG 2.98Å; P358-K363 PolarHBondContact O-NZ 2.79Å; P358-L561 WeakPolarHBondContact CD-O 3.42Å; P358-L568 HydrophobicContact CB-CD1 3.7Å; P358-L568 HydrophobicContact CG-CD1 3.74Å; P358-L568 HydrophobicContact CG-CD2 4.47Å; P358-L594 HydrophobicContact CB-CD1 3.72Å; P358-Y597 HydrophobicContact CB-CD1 4.05Å; P358-Y597 HydrophobicContact CB-CE1 4.11Å
359P82Confident87.3Confident10 Ų1018 Ų187%0.06510%0.097CC..THydrogen-bonded Turntrans-56.5142.5171.325.2-33.5000110.7S361 F590 R593 L594P359-S361 VanDerWaalsContact C-N 3.27Å; P359-S361 PolarHBondContact O-N 3.41Å; P359-F590 HydrophobicContact CB-CD2 4.38Å; P359-F590 HydrophobicContact CB-CE2 4.29Å; P359-F590 HydrophobicContact CG-CD2 4.19Å; P359-F590 HydrophobicContact CG-CE2 3.92Å; P359-R593 HydrophobicContact CB-CB 4.49Å; P359-R593 HydrophobicContact CG-CB 4.16Å; P359-L594 HydrophobicContact CG-CB 4.07Å; P359-L594 HydrophobicContact CG-CD1 4.15Å
360A80.4Confident87.5Confident10 Ų1017.8 Ų17.88%0.08310%0.096CC..THydrogen-bonded Turntrans68.38.9-176.600000116.9G362 L568 R571 I572 Y585 F590A360-G362 VanDerWaalsContact C-N 3.26Å; A360-G362 PolarHBondContact O-N 2.88Å; A360-L568 HydrophobicContact CB-CD2 4.41Å; A360-R571 WeakPolarHBondContact O-CD 3.45Å; A360-I572 HydrophobicContact CB-CD1 3.78Å; A360-I572 HydrophobicContact CB-CG1 3.71Å; A360-Y585 HydrophobicContact CB-CE1 3.97Å; A360-F590 HydrophobicContact CB-CE2 4.48Å
361S83.5Confident87.6Confident0 Ų017.7 Ų17.70%010%0.096CC..SBendtrans-71.3-14.3174.768.90000115.2P358 P359 I661P358-S361 WeakPolarHBondContact O-CB 3.36Å; P358-S361 PolarHBondContact O-N 2.94Å; P358-S361 PolarHBondContact O-OG 2.98Å; P359-S361 VanDerWaalsContact C-N 3.27Å; P359-S361 PolarHBondContact O-N 3.41Å; S361-I661 WeakPolarHBondContact O-CD1 3.45Å
362G83Confident87.6Confident12 Ų1224.4 Ų24.412%0.12413%0.127CC..  trans88.612.1-174.700000115.3A360 T364 T365 L366A360-G362 VanDerWaalsContact C-N 3.26Å; A360-G362 PolarHBondContact O-N 2.88Å; G362-T364 VanDerWaalsContact C-N 3.32Å; G362-T364 PolarHBondContact O-N 2.89Å; G362-T365 WeakPolarHBondContact O-CB 3.26Å; G362-T365 PolarHBondContact O-N 3.43Å; G362-L366 PolarHBondContact O-N 2.87Å
363K88.7Confident87.5Confident38 Ų3828.7 Ų28.717%0.16514%0.144CC..Hα-helixtrans-45.9-48.1176.649.4171.3174.3-73.50114.7I355 G357 P358 T365 L366 A367 D464 L561I355-K363 HydrophobicContact CG2-CB 3.93Å; G357-K363 PolarHBondContact O-NZ 3.39Å; G357-K363 VanDerWaalsContact O-NZ 3.1Å; P358-K363 PolarHBondContact O-NZ 2.79Å; K363-T365 PolarHBondContact O-N 3.24Å; K363-L366 PolarHBondContact O-N 3.04Å; K363-A367 VanDerWaalsContact O-CB 3.23Å; K363-A367 WeakPolarHBondContact O-CB 3.26Å; K363-A367 PolarHBondContact O-N 2.82Å; K363-D464 WeakPolarHBondContact CD-OD1 3.37Å; K363-L561 HydrophobicContact CB-CD1 3.86Å
364T87.3Confident87.2Confident48 Ų4828.8 Ų28.829%0.29414%0.144SC..Hα-helixtrans-66.8-36.2179.6-51.50000112.3G362 K368 D464G362-T364 VanDerWaalsContact C-N 3.32Å; G362-T364 PolarHBondContact O-N 2.89Å; T364-K368 HydrophobicContact CG2-CD 4.45Å; T364-K368 WeakPolarHBondContact O-CB 3.13Å; T364-K368 VanDerWaalsContact O-CG 3.26Å; T364-K368 WeakPolarHBondContact O-CG 3.38Å; T364-K368 PolarHBondContact O-N 2.81Å; T364-D464 VanDerWaalsContact CA-OD2 3.27Å; T364-D464 WeakPolarHBondContact CA-OD2 3.47Å; T364-D464 WeakPolarHBondContact CB-OD2 3.33Å; T364-D464 WeakPolarHBondContact CG2-OD2 3.42Å; T364-D464 PolarHBondContact OG1-OD2 3.27Å
365T87.8Confident86.9Confident57 Ų5731.6 Ų31.635%0.3516%0.156SC..Hα-helixtrans-65.6-46.2175.7-52.50000110.5G362 K363 K369G362-T365 WeakPolarHBondContact O-CB 3.26Å; G362-T365 PolarHBondContact O-N 3.43Å; K363-T365 PolarHBondContact O-N 3.24Å; T365-K369 PolarHBondContact O-N 3.44Å; T365-K369 VanDerWaalsContact O-N 3.15Å
366L88.9Confident86.8Confident0 Ų032.3 Ų32.30%016%0.16CC..Hα-helixtrans-65.5-43.6177.7-174.963.8000112G362 K363 K368 K369 L370 L561 L669 T672 F673 L676G362-L366 PolarHBondContact O-N 2.87Å; K363-L366 PolarHBondContact O-N 3.04Å; L366-K368 PolarHBondContact O-N 3.47Å; L366-K369 PolarHBondContact O-N 3.18Å; L366-L370 HydrophobicContact CD1-CD1 4.36Å; L366-L370 HydrophobicContact CG-CD1 4.04Å; L366-L370 WeakPolarHBondContact O-CG 3.5Å; L366-L370 PolarHBondContact O-N 2.88Å; L366-L561 HydrophobicContact CD2-CD1 4.21Å; L366-L561 HydrophobicContact CD2-CD2 3.86Å; L366-L669 HydrophobicContact CB-CD1 4.22Å; L366-T672 HydrophobicContact CD1-CG2 4.33Å; L366-T672 HydrophobicContact CD2-CG2 4.06Å; L366-F673 HydrophobicContact CD1-CB 4.15Å; L366-L676 HydrophobicContact CD1-CD1 4.23Å; L366-L676 HydrophobicContact CD2-CD1 3.78Å; L366-L676 HydrophobicContact CG-CD1 4.27Å
367A91Very high86.7Confident0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-59.6-46.5177.600000111.3I355 K363 L370 C371 I462 D464I355-A367 HydrophobicContact CD1-CB 3.83Å; K363-A367 VanDerWaalsContact O-CB 3.23Å; K363-A367 WeakPolarHBondContact O-CB 3.26Å; K363-A367 PolarHBondContact O-N 2.82Å; A367-L370 PolarHBondContact O-N 3.03Å; A367-C371 WeakPolarHBondContact O-CB 3.33Å; A367-C371 PolarHBondContact O-N 2.71Å; A367-C371 PolarHBondContact O-SG 3Å; A367-I462 HydrophobicContact CB-CG2 4.21Å; A367-D464 HydrophobicContact CB-CB 4.09Å
368K90.9Very high86.8Confident103 Ų10334.9 Ų34.945%0.44817%0.173SC..Hα-helixtrans-59.5-47.7176.1-76.2177.9177.7-171.60112.5T364 L366 L370 C371 E372T364-K368 HydrophobicContact CG2-CD 4.45Å; T364-K368 WeakPolarHBondContact O-CB 3.13Å; T364-K368 VanDerWaalsContact O-CG 3.26Å; T364-K368 WeakPolarHBondContact O-CG 3.38Å; T364-K368 PolarHBondContact O-N 2.81Å; L366-K368 PolarHBondContact O-N 3.47Å; K368-L370 VanDerWaalsContact C-N 3.34Å; K368-L370 PolarHBondContact O-N 2.84Å; K368-C371 WeakPolarHBondContact O-CB 3.27Å; K368-C371 PolarHBondContact O-N 2.98Å; K368-C371 VanDerWaalsContact O-N 3.16Å; K368-E372 WeakPolarHBondContact O-CG 3.17Å; K368-E372 PolarHBondContact O-N 3.34Å
369K88.8Confident87Confident39 Ų3934.6 Ų34.617%0.1717%0.171CC..Hα-helixtrans-59.8-43177.3-77.4-169.2167.9-1670112.7T365 L366 E372 Y373 E668 F673T365-K369 PolarHBondContact O-N 3.44Å; T365-K369 VanDerWaalsContact O-N 3.15Å; L366-K369 PolarHBondContact O-N 3.18Å; K369-E372 PolarHBondContact O-N 2.96Å; K369-Y373 WeakPolarHBondContact O-CB 3.21Å; K369-Y373 PolarHBondContact O-N 3.09Å; K369-E668 WeakPolarHBondContact CE-O 3.31Å; K369-E668 VanDerWaalsContact CE-OE2 3.26Å; K369-E668 WeakPolarHBondContact CE-OE2 3.35Å; K369-E668 VanDerWaalsContact NZ-CB 3.26Å; K369-E668 PolarHBondContact NZ-O 3.42Å; K369-E668 IonicContact NZ-OE2 2.66Å; K369-E668 PolarHBondContact NZ-OE2 3.02Å; K369-F673 HydrophobicContact CB-CD2 3.9Å; K369-F673 HydrophobicContact CB-CE2 3.96Å
370L89.4Confident87.3Confident0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-67.3-38.2176.4-69.8167.4000111.5I355 L366 A367 K368 Y373 Y374 I462 F673 L676 V677I355-L370 HydrophobicContact CD1-CD1 3.74Å; L366-L370 HydrophobicContact CD1-CD1 4.36Å; L366-L370 HydrophobicContact CG-CD1 4.04Å; L366-L370 WeakPolarHBondContact O-CG 3.5Å; L366-L370 PolarHBondContact O-N 2.88Å; A367-L370 PolarHBondContact O-N 3.03Å; K368-L370 VanDerWaalsContact C-N 3.34Å; K368-L370 PolarHBondContact O-N 2.84Å; L370-Y373 PolarHBondContact O-N 3.43Å; L370-Y374 HydrophobicContact CB-CD2 4.49Å; L370-Y374 HydrophobicContact CD2-CD2 4.29Å; L370-Y374 HydrophobicContact CD2-CE2 3.9Å; L370-Y374 WeakPolarHBondContact O-CB 3.32Å; L370-Y374 WeakPolarHBondContact O-CD2 3.47Å; L370-Y374 PolarHBondContact O-N 2.82Å; L370-I462 HydrophobicContact CB-CD1 3.42Å; L370-I462 VanDerWaalsContact CB-CD1 3.42Å; L370-F673 HydrophobicContact CD2-CD2 3.84Å; L370-F673 HydrophobicContact CD2-CE2 3.76Å; L370-F673 HydrophobicContact CG-CD2 4.14Å; L370-F673 HydrophobicContact CG-CE2 4.2Å; L370-L676 HydrophobicContact CD1-CD1 3.99Å; L370-L676 HydrophobicContact CD2-CB 4.45Å; L370-V677 HydrophobicContact CD2-CG2 4.23Å
371C90.1Very high87.4Confident11 Ų1137.5 Ų37.57%0.07418%0.183CC..Hα-helixtrans-63.5-41.8176.1-68.20000111.9A367 K368 K375 L376 H378A367-C371 WeakPolarHBondContact O-CB 3.33Å; A367-C371 PolarHBondContact O-N 2.71Å; A367-C371 PolarHBondContact O-SG 3Å; K368-C371 WeakPolarHBondContact O-CB 3.27Å; K368-C371 PolarHBondContact O-N 2.98Å; K368-C371 VanDerWaalsContact O-N 3.16Å; C371-K375 CarbonylContact O-C 3.56Å; C371-K375 WeakPolarHBondContact O-CA 3.19Å; C371-K375 PolarHBondContact O-N 3.11Å; C371-L376 WeakPolarHBondContact CB-O 3.38Å; C371-L376 PolarHBondContact O-N 2.82Å; C371-H378 HydrophobicContact CB-CB 4.18Å; C371-H378 VanDerWaalsContact SG-CA 3.53Å; C371-H378 VanDerWaalsContact SG-CB 3.51Å
372E86.5Confident87.4Confident151 Ų15144.6 Ų44.671%0.70621%0.213SC*.Hα-helixtrans-65.6-44.8176.6-73.4169.5-166.900111.6K368 K369K368-E372 WeakPolarHBondContact O-CG 3.17Å; K368-E372 PolarHBondContact O-N 3.34Å; K369-E372 PolarHBondContact O-N 2.96Å
373Y86.8Confident87.4Confident107 Ų10748.3 Ų48.342%0.4223%0.227SC..Hα-helixtrans-68.4-42.4-178.9-175.6-98.4000113.3K369 L370 F673 V677K369-Y373 WeakPolarHBondContact O-CB 3.21Å; K369-Y373 PolarHBondContact O-N 3.09Å; L370-Y373 PolarHBondContact O-N 3.43Å; Y373-F673 HydrophobicContact CD1-CZ 4.46Å; Y373-F673 HydrophobicContact CD2-CZ 4.03Å; Y373-F673 AromaticContact CG-CZ 3.84Å; Y373-F673 HydrophobicContact CG-CZ 3.84Å; Y373-V677 HydrophobicContact CD1-CG1 4.39Å; Y373-V677 HydrophobicContact CD1-CG2 4.02Å; Y373-V677 HydrophobicContact CE1-CB 4.46Å; Y373-V677 HydrophobicContact CE1-CG1 3.55Å; Y373-V677 HydrophobicContact CE1-CG2 4.01Å
374Y85.8Confident87.2Confident3 Ų346.8 Ų46.81%0.01222%0.221CC..Hα-helixtrans-89.9-5-179.6-71.4-73.4000113.8I351 L370 L376 V677 I680 G681 P683I351-Y374 HydrophobicContact CD1-CD1 3.59Å; I351-Y374 HydrophobicContact CD1-CE1 3.89Å; I351-Y374 HydrophobicContact CD1-CG 4.37Å; L370-Y374 HydrophobicContact CB-CD2 4.49Å; L370-Y374 HydrophobicContact CD2-CD2 4.29Å; L370-Y374 HydrophobicContact CD2-CE2 3.9Å; L370-Y374 WeakPolarHBondContact O-CB 3.32Å; L370-Y374 WeakPolarHBondContact O-CD2 3.47Å; L370-Y374 PolarHBondContact O-N 2.82Å; Y374-L376 HydrophobicContact CG-CD1 4.41Å; Y374-V677 HydrophobicContact CE2-CG2 4.35Å; Y374-V677 WeakPolarHBondContact OH-CA 2.91Å; Y374-I680 HydrophobicContact CE1-CG2 4.03Å; Y374-I680 HydrophobicContact CE2-CD1 4.09Å; Y374-I680 HydrophobicContact CE2-CG2 4.42Å; Y374-I680 WeakPolarHBondContact OH-CB 3.25Å; Y374-I680 WeakPolarHBondContact OH-CG2 3.44Å; Y374-G681 WeakPolarHBondContact CE1-O 3.4Å; Y374-G681 PolarHBondContact OH-O 3.19Å; Y374-P683 HydrophobicContact CD1-CB 4.04Å; Y374-P683 HydrophobicContact CE1-CB 4.46Å
375K84.8Confident87Confident58 Ų5845.3 Ų45.325%0.25221%0.212SC..THydrogen-bonded Turntrans52.754.1-173-163.2-177-170.61790111.3C371 N685 Y686 G687 E692C371-K375 CarbonylContact O-C 3.56Å; C371-K375 WeakPolarHBondContact O-CA 3.19Å; C371-K375 PolarHBondContact O-N 3.11Å; K375-N685 PolarHBondContact O-ND2 3.26Å; K375-Y686 WeakPolarHBondContact CD-O 3.39Å; K375-G687 PolarHBondContact NZ-O 3.35Å; K375-G687 VanDerWaalsContact NZ-O 3.16Å; K375-E692 IonicContact NZ-OE1 3.29Å; K375-E692 PolarHBondContact NZ-OE1 3.44Å; K375-E692 IonicContact NZ-OE2 3.78Å; K375-E692 PolarHBondContact NZ-OE2 2.6Å
376L87.3Confident86.8Confident15 Ų1547.5 Ų47.58%0.07922%0.221CC..  trans-115151.7-177.5-62.1176.2000112.2I351 C371 Y374 H378 Q459 I462I351-L376 HydrophobicContact CB-CD1 3.87Å; I351-L376 HydrophobicContact CG2-CD1 3.93Å; C371-L376 WeakPolarHBondContact CB-O 3.38Å; C371-L376 PolarHBondContact O-N 2.82Å; Y374-L376 HydrophobicContact CG-CD1 4.41Å; L376-H378 PolarHBondContact O-N 3.48Å; L376-Q459 HydrophobicContact CD2-CB 4.15Å; L376-Q459 WeakPolarHBondContact CD2-O 3.46Å; L376-I462 HydrophobicContact CB-CG1 4.38Å; L376-I462 HydrophobicContact CD1-CD1 4.24Å; L376-I462 HydrophobicContact CD1-CG1 4Å
377P86.6Confident86.6Confident25 Ų2551.3 Ų51.316%0.16224%0.239CC..  trans-59.6123.3170.6-23.233.5000112.3I379 T455 G460 I462P377-I379 PolarHBondContact O-N 3.4Å; P377-T455 HydrophobicContact CG-CG2 3.75Å; P377-G460 WeakPolarHBondContact CD-O 3.21Å; P377-I462 PolarHBondContact O-N 2.88Å
378H89.3Confident86.2Confident38 Ų3851.9 Ų51.918%0.17624%0.243CC..EExtended strand (participates in β ladder)trans-80.7107.3170.4-178.3-109.6000109.9C371 L376 H380 Q383 D464C371-H378 HydrophobicContact CB-CB 4.18Å; C371-H378 VanDerWaalsContact SG-CA 3.53Å; C371-H378 VanDerWaalsContact SG-CB 3.51Å; L376-H378 PolarHBondContact O-N 3.48Å; H378-H380 PolarHBondContact O-N 2.91Å; H378-Q383 PolarHBondContact ND1-OE1 3.43Å; H378-Q383 PolarHBondContact O-OE1 3.11Å; H378-D464 IonicContact NE2-OD2 2.75Å
379I88.5Confident85.8Confident1 Ų148 Ų481%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-94.894.8-178.4-56.3-173.3000109P377 V384 F447 L451 Y461 I462 I463 D464P377-I379 PolarHBondContact O-N 3.4Å; I379-V384 HydrophobicContact CG2-CG2 3.68Å; I379-F447 HydrophobicContact CG2-CD1 4.02Å; I379-F447 HydrophobicContact CG2-CE1 3.51Å; I379-F447 HydrophobicContact CG2-CZ 4.22Å; I379-L451 HydrophobicContact CD1-CD2 3.4Å; I379-L451 HydrophobicContact CD1-CG 4.4Å; I379-Y461 VanDerWaalsContact CD1-CB 3.41Å; I379-Y461 HydrophobicContact CD1-CD2 4.21Å; I379-Y461 HydrophobicContact CD1-CG 3.81Å; I379-I462 PolarHBondContact N-O 3.23Å; I379-I463 HydrophobicContact CB-CG1 4.38Å; I379-D464 PolarHBondContact O-N 2.88Å
380H87.2Confident85.6Confident47 Ų4748.3 Ų48.322%0.21824%0.237CC..  trans-115.6138.6172.5176.2-91000111H378 K382 Q383 V384 D464H378-H380 PolarHBondContact O-N 2.91Å; H380-K382 VanDerWaalsContact C-N 3.27Å; H380-K382 PolarHBondContact ND1-N 3.19Å; H380-K382 PolarHBondContact O-N 2.83Å; H380-K382 VanDerWaalsContact O-N 3.08Å; H380-Q383 PolarHBondContact O-N 2.79Å; H380-V384 WeakPolarHBondContact O-CG2 3.41Å; H380-V384 PolarHBondContact O-N 3.34Å; H380-D464 HydrophobicContact CB-CB 4.48Å; H380-D464 IonicContact CD2-OD2 3.07Å; H380-D464 PolarHBondContact CD2-OD2 3.01Å
381I84.1Confident85.3Confident35 Ų3551.3 Ų51.318%0.17925%0.253CS..Hα-helixtrans-48.5-46.9-172.3-59.8168.1000112.9I385 V443 F447 Y466I381-I385 HydrophobicContact CG2-CD1 3.73Å; I381-I385 WeakPolarHBondContact O-CD1 3.28Å; I381-I385 VanDerWaalsContact O-CG1 3.23Å; I381-I385 WeakPolarHBondContact O-CG1 3.41Å; I381-I385 PolarHBondContact O-N 3.2Å; I381-I385 VanDerWaalsContact O-N 3.15Å; I381-V443 HydrophobicContact CG2-CG1 4.45Å; I381-F447 HydrophobicContact CB-CE2 4.03Å; I381-F447 HydrophobicContact CB-CZ 4.05Å; I381-F447 HydrophobicContact CG1-CE2 3.79Å; I381-F447 HydrophobicContact CG1-CZ 3.5Å; I381-F447 HydrophobicContact CG2-CE2 4.15Å; I381-Y466 HydrophobicContact CD1-CD2 3.62Å; I381-Y466 HydrophobicContact CD1-CE2 4.39Å; I381-Y466 HydrophobicContact CD1-CG 4.13Å; I381-Y466 HydrophobicContact CG1-CD2 4.11Å; I381-Y466 HydrophobicContact CG1-CG 4.21Å
382K82.5Confident84.8Confident148 Ų14850.9 Ų50.964%0.64325%0.25SS*.Hα-helixtrans-63.5-44.3179.5-65.2-177-178.6-174.50112.5H380 I385 D386H380-K382 VanDerWaalsContact C-N 3.27Å; H380-K382 PolarHBondContact ND1-N 3.19Å; H380-K382 PolarHBondContact O-N 2.83Å; H380-K382 VanDerWaalsContact O-N 3.08Å; K382-I385 PolarHBondContact O-N 3.25Å; K382-D386 WeakPolarHBondContact O-CB 3.37Å; K382-D386 PolarHBondContact O-N 2.85Å
383Q83.8Confident84.7Confident90 Ų9048.3 Ų48.342%0.42124%0.236SC..Hα-helixtrans-66.6-41-177.7-71.6177.5-36.200111.2H378 H380 I385 D386 E387H378-Q383 PolarHBondContact ND1-OE1 3.43Å; H378-Q383 PolarHBondContact O-OE1 3.11Å; H380-Q383 PolarHBondContact O-N 2.79Å; Q383-I385 VanDerWaalsContact C-N 3.34Å; Q383-I385 PolarHBondContact O-N 3.1Å; Q383-D386 PolarHBondContact O-N 3.24Å; Q383-E387 WeakPolarHBondContact O-CB 3.21Å; Q383-E387 PolarHBondContact O-N 2.99Å
384V83.6Confident84.5Confident6 Ų649.1 Ų49.14%0.03624%0.242CC..Hα-helixtrans-60.3-45.2176.2177.50000111.1I379 H380 A388 L446 F447 K450I379-V384 HydrophobicContact CG2-CG2 3.68Å; H380-V384 WeakPolarHBondContact O-CG2 3.41Å; H380-V384 PolarHBondContact O-N 3.34Å; V384-A388 WeakPolarHBondContact O-CB 3.25Å; V384-A388 PolarHBondContact O-N 3.48Å; V384-L446 HydrophobicContact CG1-CB 4.35Å; V384-F447 HydrophobicContact CB-CD2 4.37Å; V384-F447 HydrophobicContact CB-CE2 4.08Å; V384-F447 HydrophobicContact CB-CZ 4.47Å; V384-F447 HydrophobicContact CG1-CD2 3.97Å; V384-F447 HydrophobicContact CG1-CE2 4.2Å; V384-F447 HydrophobicContact CG1-CG 4.43Å; V384-F447 HydrophobicContact CG2-CE1 4.41Å; V384-F447 HydrophobicContact CG2-CE2 4.18Å; V384-F447 HydrophobicContact CG2-CZ 4.08Å; V384-K450 HydrophobicContact CG1-CB 4.04Å; V384-K450 HydrophobicContact CG1-CG 4.42Å; V384-K450 HydrophobicContact CG2-CG 4.29Å
385I83Confident84.1Confident18 Ų1853.1 Ų53.19%0.09226%0.257CS..Hα-helixtrans-64.5-49178.9-67.9167.9000110.9I381 K382 Q383 E387 A388 I389 M431 L438 V443 L446I381-I385 HydrophobicContact CG2-CD1 3.73Å; I381-I385 WeakPolarHBondContact O-CD1 3.28Å; I381-I385 VanDerWaalsContact O-CG1 3.23Å; I381-I385 WeakPolarHBondContact O-CG1 3.41Å; I381-I385 PolarHBondContact O-N 3.2Å; I381-I385 VanDerWaalsContact O-N 3.15Å; K382-I385 PolarHBondContact O-N 3.25Å; Q383-I385 VanDerWaalsContact C-N 3.34Å; Q383-I385 PolarHBondContact O-N 3.1Å; I385-E387 VanDerWaalsContact C-N 3.34Å; I385-E387 PolarHBondContact O-N 3.29Å; I385-A388 PolarHBondContact O-N 3.05Å; I385-I389 HydrophobicContact CG2-CD1 3.72Å; I385-I389 WeakPolarHBondContact O-CB 3.29Å; I385-I389 VanDerWaalsContact O-CG1 3.26Å; I385-I389 WeakPolarHBondContact O-CG1 3.48Å; I385-I389 PolarHBondContact O-N 2.68Å; I385-M431 HydrophobicContact CG2-CE 3.3Å; I385-L438 HydrophobicContact CG2-CD1 4.03Å; I385-V443 HydrophobicContact CD1-CG2 4.45Å; I385-L446 HydrophobicContact CG1-CD1 4.44Å
386D85Confident83.9Confident103 Ų10351.3 Ų51.355%0.55125%0.251SS*.Hα-helixtrans-63-42.1-178.1-65.8-26000111.5K382 Q383 A390K382-D386 WeakPolarHBondContact O-CB 3.37Å; K382-D386 PolarHBondContact O-N 2.85Å; Q383-D386 PolarHBondContact O-N 3.24Å; D386-A390 WeakPolarHBondContact O-CB 3.29Å; D386-A390 PolarHBondContact O-N 3.3Å
387E84.1Confident83.5Confident79 Ų7955.7 Ų55.737%0.36927%0.271SS..Hα-helixtrans-67.2-44.5177.6-169.6-173.5162.900111.8Q383 I385 I389 A390 N391 K450Q383-E387 WeakPolarHBondContact O-CB 3.21Å; Q383-E387 PolarHBondContact O-N 2.99Å; I385-E387 VanDerWaalsContact C-N 3.34Å; I385-E387 PolarHBondContact O-N 3.29Å; E387-I389 PolarHBondContact O-N 2.87Å; E387-A390 PolarHBondContact O-N 3.28Å; E387-N391 WeakPolarHBondContact O-CB 3.44Å; E387-N391 VanDerWaalsContact O-CG 3.3Å; E387-N391 PolarHBondContact O-N 3.33Å; E387-K450 IonicContact OE1-NZ 2.84Å; E387-K450 PolarHBondContact OE1-NZ 3.46Å; E387-K450 VanDerWaalsContact OE2-CE 3.27Å; E387-K450 WeakPolarHBondContact OE2-CE 3.28Å; E387-K450 IonicContact OE2-NZ 3.75Å; E387-K450 PolarHBondContact OE2-NZ 3.23Å
388A81.6Confident83Confident12 Ų1260.8 Ų60.810%0.09929%0.294CS..Hα-helixtrans-60.9-44.8176.700000111.9V384 I385 A390 N391 L392 L446V384-A388 WeakPolarHBondContact O-CB 3.25Å; V384-A388 PolarHBondContact O-N 3.48Å; I385-A388 PolarHBondContact O-N 3.05Å; A388-A390 VanDerWaalsContact C-N 3.32Å; A388-A390 PolarHBondContact O-N 3.15Å; A388-N391 PolarHBondContact O-N 2.89Å; A388-L392 WeakPolarHBondContact O-CB 3.39Å; A388-L392 WeakPolarHBondContact O-CG 3.23Å; A388-L392 PolarHBondContact O-N 3.43Å; A388-L446 HydrophobicContact CB-CB 4.48Å; A388-L446 HydrophobicContact CB-CD1 4.02Å; A388-L446 HydrophobicContact CB-CD2 3.59Å; A388-L446 HydrophobicContact CB-CG 4.23Å
389I83Confident82.1Confident23 Ų2361.6 Ų61.612%0.11830%0.299CS..Hα-helixtrans-62.2-41.6176.2-69.2168.3000110.7I385 E387 K393 I427 M431I385-I389 HydrophobicContact CG2-CD1 3.72Å; I385-I389 WeakPolarHBondContact O-CB 3.29Å; I385-I389 VanDerWaalsContact O-CG1 3.26Å; I385-I389 WeakPolarHBondContact O-CG1 3.48Å; I385-I389 PolarHBondContact O-N 2.68Å; E387-I389 PolarHBondContact O-N 2.87Å; I389-K393 HydrophobicContact CG2-CD 4.19Å; I389-K393 WeakPolarHBondContact O-CB 2.97Å; I389-K393 VanDerWaalsContact O-CG 3.28Å; I389-K393 WeakPolarHBondContact O-CG 3.49Å; I389-K393 PolarHBondContact O-N 3.49Å; I389-I427 HydrophobicContact CD1-CG2 4.23Å; I389-I427 HydrophobicContact CG1-CG2 4.21Å; I389-M431 HydrophobicContact CD1-CE 3.47Å; I389-M431 VanDerWaalsContact CD1-CE 3.47Å; I389-M431 HydrophobicContact CD1-SD 3.86Å
390A85.8Confident81.5Confident44 Ų4467 Ų6736%0.36432%0.324SS..Hα-helixtrans-64.5-41.7177.500000112D386 E387 A388 K393 K394D386-A390 WeakPolarHBondContact O-CB 3.29Å; D386-A390 PolarHBondContact O-N 3.3Å; E387-A390 PolarHBondContact O-N 3.28Å; A388-A390 VanDerWaalsContact C-N 3.32Å; A388-A390 PolarHBondContact O-N 3.15Å; A390-K393 PolarHBondContact O-N 2.76Å; A390-K394 WeakPolarHBondContact O-CG 3.47Å; A390-K394 PolarHBondContact O-N 3.44Å
391N82.6Confident80.8Confident63 Ų6371.4 Ų71.434%0.33734%0.343SS..Hα-helixtrans-66.7-46.7177.9-72.1-17.2000111.5E387 A388 K393 K394 R395E387-N391 WeakPolarHBondContact O-CB 3.44Å; E387-N391 VanDerWaalsContact O-CG 3.3Å; E387-N391 PolarHBondContact O-N 3.33Å; A388-N391 PolarHBondContact O-N 2.89Å; N391-K393 VanDerWaalsContact C-N 3.34Å; N391-K393 PolarHBondContact O-N 3Å; N391-K394 WeakPolarHBondContact O-CB 3.21Å; N391-K394 PolarHBondContact O-N 2.97Å; N391-K394 VanDerWaalsContact O-N 3.1Å; N391-R395 WeakPolarHBondContact O-CG 3.44Å; N391-R395 PolarHBondContact O-N 3.31Å
392L79.7Confident79.9Confident3 Ų372.1 Ų72.12%0.01636%0.355CS..Hα-helixtrans-56-47173.8-76.9163.9000111.3A388 K394 R395 V396 D420 F423 L424 I427A388-L392 WeakPolarHBondContact O-CB 3.39Å; A388-L392 WeakPolarHBondContact O-CG 3.23Å; A388-L392 PolarHBondContact O-N 3.43Å; L392-K394 VanDerWaalsContact C-N 3.3Å; L392-K394 PolarHBondContact O-N 3.45Å; L392-R395 PolarHBondContact O-N 2.61Å; L392-R395 VanDerWaalsContact O-N 3.16Å; L392-V396 WeakPolarHBondContact O-CG2 3.32Å; L392-V396 PolarHBondContact O-N 3.16Å; L392-D420 HydrophobicContact CD2-CB 4.47Å; L392-F423 HydrophobicContact CD1-CD1 3.97Å; L392-F423 HydrophobicContact CD1-CE1 4.22Å; L392-F423 HydrophobicContact CD2-CD1 4.17Å; L392-L424 HydrophobicContact CB-CB 4.47Å; L392-L424 HydrophobicContact CB-CD1 3.86Å; L392-I427 HydrophobicContact CD1-CD1 3.92Å
393K84.6Confident78.9Confident96 Ų9668.9 Ų68.942%0.41734%0.342SS..Hα-helixtrans-57.8-40.8175.5-77.8178.1179.4-178.90112.7I389 A390 N391 Q397 L424I389-K393 HydrophobicContact CG2-CD 4.19Å; I389-K393 WeakPolarHBondContact O-CB 2.97Å; I389-K393 VanDerWaalsContact O-CG 3.28Å; I389-K393 WeakPolarHBondContact O-CG 3.49Å; I389-K393 PolarHBondContact O-N 3.49Å; A390-K393 PolarHBondContact O-N 2.76Å; N391-K393 VanDerWaalsContact C-N 3.34Å; N391-K393 PolarHBondContact O-N 3Å; K393-Q397 WeakPolarHBondContact O-CB 3.37Å; K393-Q397 VanDerWaalsContact O-CG 3.29Å; K393-Q397 WeakPolarHBondContact O-CG 3.49Å; K393-Q397 PolarHBondContact O-N 3.15Å; K393-L424 HydrophobicContact CB-CD1 4.41Å; K393-L424 HydrophobicContact CG-CD1 3.63Å
394K82.4Confident77.8Confident124 Ų12468.3 Ų68.354%0.53935%0.348SS..Hα-helixtrans-65.5-43.7176.6-74.8176.9-179.6179.10111.6A390 N391 L392 Q397 M398A390-K394 WeakPolarHBondContact O-CG 3.47Å; A390-K394 PolarHBondContact O-N 3.44Å; N391-K394 WeakPolarHBondContact O-CB 3.21Å; N391-K394 PolarHBondContact O-N 2.97Å; N391-K394 VanDerWaalsContact O-N 3.1Å; L392-K394 VanDerWaalsContact C-N 3.3Å; L392-K394 PolarHBondContact O-N 3.45Å; K394-Q397 PolarHBondContact O-N 3.1Å; K394-M398 HydrophobicContact CB-CE 4.48Å; K394-M398 WeakPolarHBondContact O-CG 3.35Å; K394-M398 PolarHBondContact O-N 2.96Å
395R77.3Confident76.7Confident88 Ų8875 Ų7533%0.33238%0.383SS..Hα-helixtrans-60.2-48.2177.7-65.7-161.9-60-128.79.4110.7N391 L392 Q397 M398 I399 D420 E449N391-R395 WeakPolarHBondContact O-CG 3.44Å; N391-R395 PolarHBondContact O-N 3.31Å; L392-R395 PolarHBondContact O-N 2.61Å; L392-R395 VanDerWaalsContact O-N 3.16Å; R395-Q397 PolarHBondContact O-N 3.4Å; R395-M398 PolarHBondContact O-N 3.46Å; R395-I399 WeakPolarHBondContact O-CG1 3.26Å; R395-I399 PolarHBondContact O-N 3.15Å; R395-I399 VanDerWaalsContact O-N 3.08Å; R395-D420 IonicContact CZ-OD1 3.25Å; R395-D420 IonicContact CZ-OD2 2.9Å; R395-D420 IonicContact NE-OD1 3.87Å; R395-D420 IonicContact NE-OD2 3.57Å; R395-D420 PolarHBondContact NE-OD2 2.98Å; R395-D420 IonicContact NH2-OD1 2.67Å; R395-D420 PolarHBondContact NH2-OD1 3.41Å; R395-D420 IonicContact NH2-OD2 2.67Å; R395-E449 IonicContact NH1-OE1 3.96Å; R395-E449 PolarHBondContact NH1-OE1 3.48Å
396V79.4Confident75.3Confident20 Ų2080.9 Ų80.912%0.12141%0.41CS..Hα-helixtrans-58.3-48.1176.3174.80000111.6L392 M398 I399 E400 L424L392-V396 WeakPolarHBondContact O-CG2 3.32Å; L392-V396 PolarHBondContact O-N 3.16Å; V396-M398 VanDerWaalsContact C-N 3.31Å; V396-M398 PolarHBondContact O-N 2.88Å; V396-I399 PolarHBondContact O-N 2.84Å; V396-I399 VanDerWaalsContact O-N 3.15Å; V396-E400 HydrophobicContact CG1-CG 4.39Å; V396-E400 WeakPolarHBondContact O-CG 3.44Å; V396-E400 PolarHBondContact O-N 3.5Å; V396-L424 HydrophobicContact CG2-CD1 4.44Å
397Q80.3Confident73.5Confident107 Ų10782.5 Ų82.550%0.542%0.419SS..Hα-helixtrans-62.5-34.4178.4-75.9177.67.600113.8K393 K394 R395 K401K393-Q397 WeakPolarHBondContact O-CB 3.37Å; K393-Q397 VanDerWaalsContact O-CG 3.29Å; K393-Q397 WeakPolarHBondContact O-CG 3.49Å; K393-Q397 PolarHBondContact O-N 3.15Å; K394-Q397 PolarHBondContact O-N 3.1Å; R395-Q397 PolarHBondContact O-N 3.4Å; Q397-K401 WeakPolarHBondContact O-CG 3.36Å; Q397-K401 PolarHBondContact O-N 2.94Å; Q397-K401 VanDerWaalsContact O-N 3.15Å
398M74.5Confident71.6Confident131 Ų13187.8 Ų87.865%0.64544%0.444SS*.Hα-helixtrans-68.3-40.2175.5-74.1-164.7-122.500111.3K394 R395 V396 K401 A402K394-M398 HydrophobicContact CB-CE 4.48Å; K394-M398 WeakPolarHBondContact O-CG 3.35Å; K394-M398 PolarHBondContact O-N 2.96Å; R395-M398 PolarHBondContact O-N 3.46Å; V396-M398 VanDerWaalsContact C-N 3.31Å; V396-M398 PolarHBondContact O-N 2.88Å; M398-K401 PolarHBondContact O-N 3.45Å; M398-A402 WeakPolarHBondContact O-CB 3.47Å; M398-A402 PolarHBondContact O-N 3.23Å
399I72.2Confident69.8Low55 Ų5594 Ų9428%0.28247%0.473SS..Hα-helixtrans-65.1-46.1177.1-64.9164.4000110.4R395 V396 K401 A402 Q403R395-I399 WeakPolarHBondContact O-CG1 3.26Å; R395-I399 PolarHBondContact O-N 3.15Å; R395-I399 VanDerWaalsContact O-N 3.08Å; V396-I399 PolarHBondContact O-N 2.84Å; V396-I399 VanDerWaalsContact O-N 3.15Å; I399-K401 VanDerWaalsContact C-N 3.32Å; I399-K401 PolarHBondContact O-N 2.88Å; I399-A402 PolarHBondContact O-N 2.91Å; I399-Q403 HydrophobicContact CG2-CG 4.48Å; I399-Q403 WeakPolarHBondContact O-CG 3.47Å; I399-Q403 PolarHBondContact O-N 3.23Å
400E76Confident67.4Low114 Ų11496.3 Ų96.353%0.53350%0.504SS..Hα-helixtrans-58.9-41.3177.1-72.6177.1164.800112.3V396 Q403 S404V396-E400 HydrophobicContact CG1-CG 4.39Å; V396-E400 WeakPolarHBondContact O-CG 3.44Å; V396-E400 PolarHBondContact O-N 3.5Å; E400-Q403 PolarHBondContact O-N 2.85Å; E400-S404 PolarHBondContact O-N 3.43Å
401K72.3Confident65.2Low140 Ų14099.8 Ų99.861%0.60952%0.516SS*.Hα-helixtrans-65.3-44.9175.4-76.1177.7-179.1178.60112.1Q397 M398 I399 Q403 S404 D405Q397-K401 WeakPolarHBondContact O-CG 3.36Å; Q397-K401 PolarHBondContact O-N 2.94Å; Q397-K401 VanDerWaalsContact O-N 3.15Å; M398-K401 PolarHBondContact O-N 3.45Å; I399-K401 VanDerWaalsContact C-N 3.32Å; I399-K401 PolarHBondContact O-N 2.88Å; K401-Q403 VanDerWaalsContact C-N 3.28Å; K401-Q403 PolarHBondContact O-N 3.38Å; K401-S404 PolarHBondContact O-N 2.79Å; K401-S404 VanDerWaalsContact O-N 3.13Å; K401-S404 PolarHBondContact O-OG 3.33Å; K401-D405 PolarHBondContact O-N 3.21Å
402A65.4Low63Low51 Ų51106.2 Ų106.242%0.42154%0.544SS..Hα-helixtrans-62.2-36177.500000112.3M398 I399 D405 Q406M398-A402 WeakPolarHBondContact O-CB 3.47Å; M398-A402 PolarHBondContact O-N 3.23Å; I399-A402 PolarHBondContact O-N 2.91Å; A402-D405 PolarHBondContact O-N 3.42Å; A402-Q406 PolarHBondContact O-N 2.85Å
403Q61.4Low61.1Low80 Ų80111.6 Ų111.637%0.37457%0.573SS.*Hα-helixtrans-68.5-35.8174.3-72175.9-4.700112.3I399 E400 K401 D405 Q406 N407I399-Q403 HydrophobicContact CG2-CG 4.48Å; I399-Q403 WeakPolarHBondContact O-CG 3.47Å; I399-Q403 PolarHBondContact O-N 3.23Å; E400-Q403 PolarHBondContact O-N 2.85Å; K401-Q403 VanDerWaalsContact C-N 3.28Å; K401-Q403 PolarHBondContact O-N 3.38Å; Q403-D405 VanDerWaalsContact C-N 3.26Å; Q403-D405 PolarHBondContact O-N 3.24Å; Q403-Q406 PolarHBondContact O-N 3.34Å; Q403-N407 PolarHBondContact O-ND2 2.82Å
404S59.8Low59Low78 Ų78116.6 Ų116.655%0.54560%0.598SS.*Hα-helixtrans-66-26.7177.467.30000113.7E400 K401E400-S404 PolarHBondContact O-N 3.43Å; K401-S404 PolarHBondContact O-N 2.79Å; K401-S404 VanDerWaalsContact O-N 3.13Å; K401-S404 PolarHBondContact O-OG 3.33Å
405D60Low57.1Low147 Ų147116.8 Ų116.879%0.78660%0.596SS**Hα-helixtrans-86-15.9177.8-74.2-23.4000114K401 A402 Q403K401-D405 PolarHBondContact O-N 3.21Å; A402-D405 PolarHBondContact O-N 3.42Å; Q403-D405 VanDerWaalsContact C-N 3.26Å; Q403-D405 PolarHBondContact O-N 3.24Å
406Q54.3Low55.7Low140 Ų140118.7 Ų118.765%0.65462%0.62SS**Hα-helixtrans-104.51.6-177.3-69.4-170.99.200115.4A402 Q403 Q408A402-Q406 PolarHBondContact O-N 2.85Å; Q403-Q406 PolarHBondContact O-N 3.34Å; Q406-Q408 VanDerWaalsContact C-N 3.26Å; Q406-Q408 PolarHBondContact O-N 3.4Å
407N46.9Very low54.4Low137 Ų137118.6 Ų118.673%0.73362%0.623SS**THydrogen-bonded Turntrans-77.158.4-173.6-87.2-25.9000115.2Q403Q403-N407 PolarHBondContact O-ND2 2.82Å
408Q44.9Very low53.4Low190 Ų190116.2 Ų116.289%0.88862%0.618SS**THydrogen-bonded Turntrans-124.5-1.1162.9-114.8-178.244.600115.4Q406Q406-Q408 VanDerWaalsContact C-N 3.26Å; Q406-Q408 PolarHBondContact O-N 3.4Å
409I42.4Very low53Low142 Ų142117.1 Ų117.173%0.72862%0.62SS**SBendtrans-134.1105.1176.9-55.3177.9000109.2N411I409-N411 PolarHBondContact O-N 2.92Å
410G33.5Very low52.8Low73 Ų73116.4 Ų116.475%0.75362%0.617SS**  trans-62.7119.6172.200000110.5
411N38.7Very low52.6Low116 Ų116112.9 Ų112.962%0.6261%0.605SS**  trans-146.4121.1154.2-100.4-16000108I409 N413I409-N411 PolarHBondContact O-N 2.92Å; N411-N413 VanDerWaalsContact C-N 3.28Å; N411-N413 PolarHBondContact O-N 2.88Å
412E36.2Very low52.7Low198 Ų198111.8 Ų111.893%0.92560%0.602SS**  trans-67.783.5169.9-64.3172.2166.300108.3
413N41.3Very low53.3Low116 Ų116111.9 Ų111.962%0.6259%0.593SS**  trans-128.4127.3167.4-74.7-28000107.9N411 Y415N411-N413 VanDerWaalsContact C-N 3.28Å; N411-N413 PolarHBondContact O-N 2.88Å; N413-Y415 WeakPolarHBondContact O-CD2 3.47Å; N413-Y415 WeakPolarHBondContact O-CE2 3.27Å; N413-Y415 PolarHBondContact O-N 3.5Å
414E40Very low54Low201 Ų201109.1 Ų109.194%0.93958%0.581SS**  trans-48.4110.8172.5-79.4167.3145.700109.7
415Y41.5Very low54.8Low128 Ų128111.1 Ų111.150%0.50258%0.581SS.*  trans-78.8137.3177.8-76.6-89.2000109N413 G417 S418N413-Y415 WeakPolarHBondContact O-CD2 3.47Å; N413-Y415 WeakPolarHBondContact O-CE2 3.27Å; N413-Y415 PolarHBondContact O-N 3.5Å; Y415-G417 PolarHBondContact O-N 2.82Å; Y415-S418 PolarHBondContact O-N 2.85Å
416P48.5Very low55.8Low129 Ų129105.4 Ų105.484%0.83856%0.555SS**THydrogen-bonded Turntrans-60.811.7178.1-21.231000116.3
417G52.7Low56.9Low18 Ų1898.9 Ų98.919%0.18652%0.524CS..THydrogen-bonded Turntrans-103.4-0.8-179.500000114.7Y415 E419Y415-G417 PolarHBondContact O-N 2.82Å; G417-E419 VanDerWaalsContact C-N 3.34Å
418S58.2Low58.3Low56 Ų5696.3 Ų96.339%0.39251%0.508SS..Hα-helixtrans-66.7-36.6177.467.20000111.8Y415 D420 S421 E422Y415-S418 PolarHBondContact O-N 2.85Å; S418-D420 PolarHBondContact O-N 2.93Å; S418-S421 PolarHBondContact O-N 3.23Å; S418-E422 WeakPolarHBondContact O-CB 3.21Å; S418-E422 VanDerWaalsContact O-CG 3.27Å; S418-E422 WeakPolarHBondContact O-CG 3.46Å; S418-E422 PolarHBondContact O-N 3.34Å
419E66.5Low59.9Low150 Ų15093 Ų9370%0.70149%0.492SS*.Hα-helixtrans-62.5-44.9-174.6-61.8-175.9177.100113.4G417 S421 E422 F423G417-E419 VanDerWaalsContact C-N 3.34Å; E419-S421 VanDerWaalsContact C-N 3.32Å; E419-S421 PolarHBondContact O-N 3.04Å; E419-E422 PolarHBondContact O-N 3.21Å; E419-F423 WeakPolarHBondContact O-CB 3.17Å; E419-F423 PolarHBondContact O-N 3.03Å
420D69Low61.6Low41 Ų4187.4 Ų87.422%0.21946%0.464CS..Hα-helixtrans-66.1-36179.4-99-10.3000111.6L392 R395 S418 L424L392-D420 HydrophobicContact CD2-CB 4.47Å; R395-D420 IonicContact CZ-OD1 3.25Å; R395-D420 IonicContact CZ-OD2 2.9Å; R395-D420 IonicContact NE-OD1 3.87Å; R395-D420 IonicContact NE-OD2 3.57Å; R395-D420 PolarHBondContact NE-OD2 2.98Å; R395-D420 IonicContact NH2-OD1 2.67Å; R395-D420 PolarHBondContact NH2-OD1 3.41Å; R395-D420 IonicContact NH2-OD2 2.67Å; S418-D420 PolarHBondContact O-N 2.93Å; D420-L424 VanDerWaalsContact O-CB 3.26Å; D420-L424 WeakPolarHBondContact O-CB 3.41Å; D420-L424 PolarHBondContact O-N 3.16Å
421S70.8Confident63.5Low39 Ų3986.1 Ų86.127%0.27344%0.439SS..Hα-helixtrans-71.3-48.1177-166.90000111S418 E419 F423 L424 E425S418-S421 PolarHBondContact O-N 3.23Å; E419-S421 VanDerWaalsContact C-N 3.32Å; E419-S421 PolarHBondContact O-N 3.04Å; S421-F423 VanDerWaalsContact C-N 3.31Å; S421-F423 PolarHBondContact O-N 3.05Å; S421-L424 PolarHBondContact O-N 2.73Å; S421-E425 WeakPolarHBondContact O-CG 3.33Å; S421-E425 PolarHBondContact O-N 3.07Å
422E76.1Confident65.1Low117 Ų11784.4 Ų84.455%0.54744%0.441SS..Hα-helixtrans-61-40.2176.5-73.8173.8-156.600111.4S418 E419 E425 A426S418-E422 WeakPolarHBondContact O-CB 3.21Å; S418-E422 VanDerWaalsContact O-CG 3.27Å; S418-E422 WeakPolarHBondContact O-CG 3.46Å; S418-E422 PolarHBondContact O-N 3.34Å; E419-E422 PolarHBondContact O-N 3.21Å; E422-E425 PolarHBondContact O-N 3Å; E422-A426 VanDerWaalsContact O-CB 3.26Å; E422-A426 WeakPolarHBondContact O-CB 3.25Å; E422-A426 PolarHBondContact O-N 2.92Å
423F77.3Confident66.9Low54 Ų5480.8 Ų80.824%0.23742%0.424CS..Hα-helixtrans-68.3-40.2177.4-172.1-118.3000112.1L392 E419 S421 A426 I427 Y442 T445 L446L392-F423 HydrophobicContact CD1-CD1 3.97Å; L392-F423 HydrophobicContact CD1-CE1 4.22Å; L392-F423 HydrophobicContact CD2-CD1 4.17Å; E419-F423 WeakPolarHBondContact O-CB 3.17Å; E419-F423 PolarHBondContact O-N 3.03Å; S421-F423 VanDerWaalsContact C-N 3.31Å; S421-F423 PolarHBondContact O-N 3.05Å; F423-A426 PolarHBondContact O-N 3.47Å; F423-I427 HydrophobicContact CD1-CD1 3.74Å; F423-I427 HydrophobicContact CE1-CD1 3.41Å; F423-I427 VanDerWaalsContact CE1-CD1 3.41Å; F423-I427 HydrophobicContact CE1-CG1 4.41Å; F423-I427 HydrophobicContact CE2-CD1 4.33Å; F423-I427 HydrophobicContact CG-CD1 4.34Å; F423-I427 HydrophobicContact CZ-CD1 3.74Å; F423-I427 HydrophobicContact CZ-CG1 4.36Å; F423-I427 WeakPolarHBondContact O-CB 2.86Å; F423-I427 VanDerWaalsContact O-CG1 3.31Å; F423-I427 WeakPolarHBondContact O-CG1 3.21Å; F423-I427 PolarHBondContact O-N 3.42Å; F423-Y442 HydrophobicContact CD2-CE1 4.39Å; F423-Y442 AromaticContact CE2-CD1 3.75Å; F423-Y442 HydrophobicContact CE2-CD1 3.75Å; F423-Y442 AromaticContact CE2-CE1 3.95Å; F423-Y442 HydrophobicContact CE2-CE1 3.95Å; F423-Y442 HydrophobicContact CZ-CD1 4.24Å; F423-T445 HydrophobicContact CZ-CG2 4.31Å; F423-L446 HydrophobicContact CE1-CD2 4.1Å; F423-L446 HydrophobicContact CZ-CD2 4.45Å
424L75.2Confident68.1Low21 Ų2178.8 Ų78.811%0.1141%0.414CS..Hα-helixtrans-64.6-41.6174175.5150.4000111.5L392 K393 V396 D420 S421 I427 Q428L392-L424 HydrophobicContact CB-CB 4.47Å; L392-L424 HydrophobicContact CB-CD1 3.86Å; K393-L424 HydrophobicContact CB-CD1 4.41Å; K393-L424 HydrophobicContact CG-CD1 3.63Å; V396-L424 HydrophobicContact CG2-CD1 4.44Å; D420-L424 VanDerWaalsContact O-CB 3.26Å; D420-L424 WeakPolarHBondContact O-CB 3.41Å; D420-L424 PolarHBondContact O-N 3.16Å; S421-L424 PolarHBondContact O-N 2.73Å; L424-I427 PolarHBondContact O-N 3.46Å; L424-Q428 HydrophobicContact CD2-CG 4.47Å; L424-Q428 WeakPolarHBondContact O-CB 3.44Å; L424-Q428 VanDerWaalsContact O-CG 3.28Å; L424-Q428 WeakPolarHBondContact O-CG 3.49Å; L424-Q428 PolarHBondContact O-N 2.91Å
425E78Confident69.1Low120 Ų12077 Ų7756%0.56141%0.41SS*.Hα-helixtrans-63.6-44.2173.8-75.3-177-172.700111.3S421 E422 I427 Q428 Q429S421-E425 WeakPolarHBondContact O-CG 3.33Å; S421-E425 PolarHBondContact O-N 3.07Å; E422-E425 PolarHBondContact O-N 3Å; E425-I427 PolarHBondContact O-N 2.98Å; E425-Q428 PolarHBondContact O-N 2.95Å; E425-Q429 VanDerWaalsContact O-CB 3.29Å; E425-Q429 WeakPolarHBondContact O-CB 3.3Å; E425-Q429 PolarHBondContact O-N 2.77Å
426A79.6Confident70.1Confident28 Ų2873.5 Ų73.523%0.23141%0.413CS..Hα-helixtrans-61.4-42.6176.500000112E422 F423 N430 Y442E422-A426 VanDerWaalsContact O-CB 3.26Å; E422-A426 WeakPolarHBondContact O-CB 3.25Å; E422-A426 PolarHBondContact O-N 2.92Å; F423-A426 PolarHBondContact O-N 3.47Å; A426-N430 WeakPolarHBondContact O-CB 3.39Å; A426-N430 PolarHBondContact O-N 3.15Å; A426-Y442 HydrophobicContact CB-CE1 4.27Å
427I78.2Confident70.8Confident2 Ų274.5 Ų74.51%0.0140%0.4CS..Hα-helixtrans-62.8-45.6174.5-73.8170.2000110.8I389 L392 F423 L424 E425 N430 M431 L438 Y442 L446I389-I427 HydrophobicContact CD1-CG2 4.23Å; I389-I427 HydrophobicContact CG1-CG2 4.21Å; L392-I427 HydrophobicContact CD1-CD1 3.92Å; F423-I427 HydrophobicContact CD1-CD1 3.74Å; F423-I427 HydrophobicContact CE1-CD1 3.41Å; F423-I427 VanDerWaalsContact CE1-CD1 3.41Å; F423-I427 HydrophobicContact CE1-CG1 4.41Å; F423-I427 HydrophobicContact CE2-CD1 4.33Å; F423-I427 HydrophobicContact CG-CD1 4.34Å; F423-I427 HydrophobicContact CZ-CD1 3.74Å; F423-I427 HydrophobicContact CZ-CG1 4.36Å; F423-I427 WeakPolarHBondContact O-CB 2.86Å; F423-I427 VanDerWaalsContact O-CG1 3.31Å; F423-I427 WeakPolarHBondContact O-CG1 3.21Å; F423-I427 PolarHBondContact O-N 3.42Å; L424-I427 PolarHBondContact O-N 3.46Å; E425-I427 PolarHBondContact O-N 2.98Å; I427-N430 PolarHBondContact O-N 3.13Å; I427-M431 WeakPolarHBondContact O-CB 3.26Å; I427-M431 WeakPolarHBondContact O-CG 3.49Å; I427-M431 PolarHBondContact O-N 3.13Å; I427-L438 HydrophobicContact CG2-CD1 4.15Å; I427-L438 HydrophobicContact CG2-CD2 4.13Å; I427-L438 HydrophobicContact CG2-CG 4.37Å; I427-Y442 HydrophobicContact CG1-CD1 3.89Å; I427-Y442 HydrophobicContact CG1-CE1 4.42Å; I427-Y442 HydrophobicContact CG1-CG 4.47Å; I427-L446 HydrophobicContact CD1-CD1 4.31Å; I427-L446 HydrophobicContact CD1-CD2 4.3Å
428Q76.8Confident71.5Confident84 Ų8474.6 Ų74.639%0.39340%0.396SS..Hα-helixtrans-67.3-40.9-179.2-74.5-178.817.600112.1L424 E425 M431 A432L424-Q428 HydrophobicContact CD2-CG 4.47Å; L424-Q428 WeakPolarHBondContact O-CB 3.44Å; L424-Q428 VanDerWaalsContact O-CG 3.28Å; L424-Q428 WeakPolarHBondContact O-CG 3.49Å; L424-Q428 PolarHBondContact O-N 2.91Å; E425-Q428 PolarHBondContact O-N 2.95Å; Q428-M431 WeakPolarHBondContact O-CB 3.43Å; Q428-M431 PolarHBondContact O-N 3.38Å; Q428-A432 WeakPolarHBondContact O-CB 3.42Å; Q428-A432 PolarHBondContact O-N 2.95Å
429Q77.4Confident72.1Confident119 Ų11972.9 Ų72.956%0.55639%0.388SS*.Hα-helixtrans-63.5-46.7174.6-176.7177.2-4.200110.5E425 M431 A432 E433E425-Q429 VanDerWaalsContact O-CB 3.29Å; E425-Q429 WeakPolarHBondContact O-CB 3.3Å; E425-Q429 PolarHBondContact O-N 2.77Å; Q429-M431 VanDerWaalsContact C-N 3.31Å; Q429-M431 PolarHBondContact O-N 3.39Å; Q429-A432 WeakPolarHBondContact O-CB 3.47Å; Q429-A432 PolarHBondContact O-N 3.02Å; Q429-A432 VanDerWaalsContact O-N 3.08Å; Q429-E433 HydrophobicContact CG-CG 4.45Å; Q429-E433 WeakPolarHBondContact CG-OE1 3.47Å; Q429-E433 PolarHBondContact NE2-OE1 3.28Å; Q429-E433 WeakPolarHBondContact O-CG 3.46Å; Q429-E433 PolarHBondContact O-N 2.94Å
430N78.1Confident72.5Confident26 Ų2669.3 Ų69.314%0.13937%0.373CS..Hα-helixtrans-64.3-37.4178.6-163.5-92.1000112.1A426 I427 A432 E433 N434 G439 Y442A426-N430 WeakPolarHBondContact O-CB 3.39Å; A426-N430 PolarHBondContact O-N 3.15Å; I427-N430 PolarHBondContact O-N 3.13Å; N430-A432 VanDerWaalsContact C-N 3.35Å; N430-E433 PolarHBondContact O-N 3.39Å; N430-N434 WeakPolarHBondContact O-CB 3.31Å; N430-N434 PolarHBondContact O-N 3.3Å; N430-N434 VanDerWaalsContact O-N 3.07Å; N430-N434 PolarHBondContact O-ND2 2.82Å; N430-N434 PolarHBondContact OD1-ND2 3.49Å; N430-G439 PolarHBondContact OD1-N 3.34Å; N430-Y442 HydrophobicContact CB-CD2 4.38Å; N430-Y442 HydrophobicContact CB-CE2 4.06Å
431M74.5Confident72.8Confident46 Ų4674.8 Ų74.823%0.22740%0.397CS..Hα-helixtrans-60.4-43.5170.8-85.2-169.5157.800112.1I385 I389 I427 Q428 Q429 G436 L438I385-M431 HydrophobicContact CG2-CE 3.3Å; I389-M431 HydrophobicContact CD1-CE 3.47Å; I389-M431 VanDerWaalsContact CD1-CE 3.47Å; I389-M431 HydrophobicContact CD1-SD 3.86Å; I427-M431 WeakPolarHBondContact O-CB 3.26Å; I427-M431 WeakPolarHBondContact O-CG 3.49Å; I427-M431 PolarHBondContact O-N 3.13Å; Q428-M431 WeakPolarHBondContact O-CB 3.43Å; Q428-M431 PolarHBondContact O-N 3.38Å; Q429-M431 VanDerWaalsContact C-N 3.31Å; Q429-M431 PolarHBondContact O-N 3.39Å; M431-G436 WeakPolarHBondContact O-CA 3.39Å; M431-G436 PolarHBondContact O-N 3.29Å; M431-L438 HydrophobicContact CE-CD1 3.17Å; M431-L438 HydrophobicContact CG-CD1 3.25Å; M431-L438 HydrophobicContact CG-CG 4.39Å; M431-L438 HydrophobicContact SD-CD1 3.9Å
432A72.4Confident73.1Confident80 Ų8075.8 Ų75.866%0.66140%0.396SS*.Hα-helixtrans-66.2-40.7179.600000111.8Q428 Q429 N430Q428-A432 WeakPolarHBondContact O-CB 3.42Å; Q428-A432 PolarHBondContact O-N 2.95Å; Q429-A432 WeakPolarHBondContact O-CB 3.47Å; Q429-A432 PolarHBondContact O-N 3.02Å; Q429-A432 VanDerWaalsContact O-N 3.08Å; N430-A432 VanDerWaalsContact C-N 3.35Å
433E73.9Confident73.3Confident122 Ų12270.9 Ų70.957%0.5737%0.374SS*.Hα-helixtrans-69.2-34.1179.7-71.7174-175.500112.8Q429 N430Q429-E433 HydrophobicContact CG-CG 4.45Å; Q429-E433 WeakPolarHBondContact CG-OE1 3.47Å; Q429-E433 PolarHBondContact NE2-OE1 3.28Å; Q429-E433 WeakPolarHBondContact O-CG 3.46Å; Q429-E433 PolarHBondContact O-N 2.94Å; N430-E433 PolarHBondContact O-N 3.39Å
434N65.5Low73.5Confident74 Ų7468.9 Ų68.940%0.39637%0.366SS..THydrogen-bonded Turntrans-103.929.3-172-72.5-46.1000114.4N430 G436 R437N430-N434 WeakPolarHBondContact O-CB 3.31Å; N430-N434 PolarHBondContact O-N 3.3Å; N430-N434 VanDerWaalsContact O-N 3.07Å; N430-N434 PolarHBondContact O-ND2 2.82Å; N430-N434 PolarHBondContact OD1-ND2 3.49Å; N434-G436 VanDerWaalsContact C-N 3.29Å; N434-G436 PolarHBondContact O-N 3.29Å; N434-R437 HydrophobicContact CB-CB 4.37Å; N434-R437 WeakPolarHBondContact CB-O 3.27Å; N434-R437 PolarHBondContact O-N 3.23Å; N434-R437 VanDerWaalsContact O-N 3.16Å
435N61.2Low73.7Confident162 Ų16271 Ų7187%0.86638%0.38SS*.THydrogen-bonded Turntrans52.343.2-179.5-71.2-28.1000113.1
436G62.3Low73.9Confident55 Ų5565.4 Ų65.457%0.56735%0.354SS*.THydrogen-bonded Turntrans80.815.3179.100000115.1M431 N434M431-G436 WeakPolarHBondContact O-CA 3.39Å; M431-G436 PolarHBondContact O-N 3.29Å; N434-G436 VanDerWaalsContact C-N 3.29Å; N434-G436 PolarHBondContact O-N 3.29Å
437R62.7Low74.2Confident151 Ų15164.1 Ų64.157%0.5734%0.343SS*.  trans-107.9133.7173.4-64.2-175.2177.8171.44.7110.6N434N434-R437 HydrophobicContact CB-CB 4.37Å; N434-R437 WeakPolarHBondContact CB-O 3.27Å; N434-R437 PolarHBondContact O-N 3.23Å; N434-R437 VanDerWaalsContact O-N 3.16Å
438L68.4Low74.4Confident19 Ų1965.8 Ų65.810%0.09935%0.35CS..  trans-73.9144.2168.8-9873.7000110.8I385 I427 M431 V443 L446I385-L438 HydrophobicContact CG2-CD1 4.03Å; I427-L438 HydrophobicContact CG2-CD1 4.15Å; I427-L438 HydrophobicContact CG2-CD2 4.13Å; I427-L438 HydrophobicContact CG2-CG 4.37Å; M431-L438 HydrophobicContact CE-CD1 3.17Å; M431-L438 HydrophobicContact CG-CD1 3.25Å; M431-L438 HydrophobicContact CG-CG 4.39Å; M431-L438 HydrophobicContact SD-CD1 3.9Å; L438-V443 HydrophobicContact CB-CG2 3.52Å; L438-V443 HydrophobicContact CD2-CG2 4.46Å; L438-L446 HydrophobicContact CD2-CD1 3.64Å
439G71.4Confident74.8Confident20 Ų2065.9 Ų65.921%0.20635%0.351CS..  trans-56.5151.5163.500000111.7N430 E441 Y442 V443N430-G439 PolarHBondContact OD1-N 3.34Å; G439-E441 VanDerWaalsContact C-N 3.26Å; G439-E441 PolarHBondContact O-N 3.16Å; G439-Y442 PolarHBondContact O-N 3.22Å; G439-V443 WeakPolarHBondContact O-CG2 3.45Å; G439-V443 PolarHBondContact O-N 2.68Å; G439-V443 VanDerWaalsContact O-N 3.14Å
440L72.8Confident75.1Confident76 Ų7662.4 Ų62.440%0.39833%0.334SS..Hα-helixtrans-58.5-37.6-173.8172.458000113.2V443 T444 Q472L440-V443 PolarHBondContact O-N 3.42Å; L440-T444 WeakPolarHBondContact O-CB 3.49Å; L440-T444 PolarHBondContact O-N 2.99Å; L440-T444 PolarHBondContact O-OG1 3.29Å; L440-Q472 HydrophobicContact CD1-CG 3.54Å; L440-Q472 HydrophobicContact CD2-CG 4.2Å
441E76.4Confident75.5Confident156 Ų15661.1 Ų61.173%0.72933%0.327SS*.Hα-helixtrans-61.4-52.6-179.5-66.8175.117700110.5G439 V443 T444 T445G439-E441 VanDerWaalsContact C-N 3.26Å; G439-E441 PolarHBondContact O-N 3.16Å; E441-V443 PolarHBondContact O-N 2.95Å; E441-T444 WeakPolarHBondContact O-CB 3.32Å; E441-T444 PolarHBondContact O-N 3.42Å; E441-T444 VanDerWaalsContact O-N 3.09Å; E441-T445 PolarHBondContact O-N 3.49Å; E441-T445 PolarHBondContact O-OG1 2.84Å
442Y77.5Confident76Confident60 Ų6062.2 Ų62.224%0.23533%0.334CS..Hα-helixtrans-59.3-43.4176.6-60.2-76.8000112.8F423 A426 I427 N430 G439 T444 T445 L446F423-Y442 HydrophobicContact CD2-CE1 4.39Å; F423-Y442 AromaticContact CE2-CD1 3.75Å; F423-Y442 HydrophobicContact CE2-CD1 3.75Å; F423-Y442 AromaticContact CE2-CE1 3.95Å; F423-Y442 HydrophobicContact CE2-CE1 3.95Å; F423-Y442 HydrophobicContact CZ-CD1 4.24Å; A426-Y442 HydrophobicContact CB-CE1 4.27Å; I427-Y442 HydrophobicContact CG1-CD1 3.89Å; I427-Y442 HydrophobicContact CG1-CE1 4.42Å; I427-Y442 HydrophobicContact CG1-CG 4.47Å; N430-Y442 HydrophobicContact CB-CD2 4.38Å; N430-Y442 HydrophobicContact CB-CE2 4.06Å; G439-Y442 PolarHBondContact O-N 3.22Å; Y442-T444 VanDerWaalsContact C-N 3.26Å; Y442-T444 PolarHBondContact O-N 2.87Å; Y442-T445 PolarHBondContact O-N 3.25Å; Y442-L446 WeakPolarHBondContact O-CB 3.35Å; Y442-L446 VanDerWaalsContact O-CG 3.27Å; Y442-L446 WeakPolarHBondContact O-CG 3.36Å; Y442-L446 PolarHBondContact O-N 3.42Å
443V80.4Confident76.6Confident14 Ų1459.9 Ų59.99%0.08531%0.313CS..Hα-helixtrans-60.2-41.1176.8177.70000110.8I381 I385 L438 G439 L440 E441 F447I381-V443 HydrophobicContact CG2-CG1 4.45Å; I385-V443 HydrophobicContact CD1-CG2 4.45Å; L438-V443 HydrophobicContact CB-CG2 3.52Å; L438-V443 HydrophobicContact CD2-CG2 4.46Å; G439-V443 WeakPolarHBondContact O-CG2 3.45Å; G439-V443 PolarHBondContact O-N 2.68Å; G439-V443 VanDerWaalsContact O-N 3.14Å; L440-V443 PolarHBondContact O-N 3.42Å; E441-V443 PolarHBondContact O-N 2.95Å; V443-F447 HydrophobicContact CG1-CD2 3.69Å; V443-F447 HydrophobicContact CG1-CE2 3.89Å; V443-F447 VanDerWaalsContact O-CB 3.31Å; V443-F447 WeakPolarHBondContact O-CB 3.43Å; V443-F447 VanDerWaalsContact O-CD2 3.31Å; V443-F447 WeakPolarHBondContact O-CD2 3.36Å; V443-F447 PolarHBondContact O-N 2.94Å
444T79.9Confident77Confident12 Ų1257.7 Ų57.77%0.07430%0.301CS..Hα-helixtrans-65.2-46.7-179.5-53.50000110.7L440 E441 Y442 L446 F447 Q448L440-T444 WeakPolarHBondContact O-CB 3.49Å; L440-T444 PolarHBondContact O-N 2.99Å; L440-T444 PolarHBondContact O-OG1 3.29Å; E441-T444 WeakPolarHBondContact O-CB 3.32Å; E441-T444 PolarHBondContact O-N 3.42Å; E441-T444 VanDerWaalsContact O-N 3.09Å; Y442-T444 VanDerWaalsContact C-N 3.26Å; Y442-T444 PolarHBondContact O-N 2.87Å; T444-L446 PolarHBondContact O-N 3.3Å; T444-F447 PolarHBondContact O-N 3.19Å; T444-Q448 HydrophobicContact CG2-CG 4.42Å; T444-Q448 WeakPolarHBondContact O-CB 3.43Å; T444-Q448 WeakPolarHBondContact O-CG 3.15Å; T444-Q448 PolarHBondContact O-N 3.39Å
445T81Confident78Confident66 Ų6655.5 Ų55.541%0.40529%0.291SS..Hα-helixtrans-59.5-48.1177.7-52.50000111.5F423 E441 Y442 F447 Q448 E449F423-T445 HydrophobicContact CZ-CG2 4.31Å; E441-T445 PolarHBondContact O-N 3.49Å; E441-T445 PolarHBondContact O-OG1 2.84Å; Y442-T445 PolarHBondContact O-N 3.25Å; T445-F447 VanDerWaalsContact C-N 3.33Å; T445-F447 PolarHBondContact O-N 2.9Å; T445-Q448 PolarHBondContact O-N 2.88Å; T445-E449 PolarHBondContact O-N 3.35Å
446L82.5Confident79.1Confident2 Ų247.8 Ų47.81%0.0125%0.249CC..Hα-helixtrans-64.4-37.9179.1-66.6-177.6000112.5V384 I385 A388 F423 I427 L438 Y442 T444 K450V384-L446 HydrophobicContact CG1-CB 4.35Å; I385-L446 HydrophobicContact CG1-CD1 4.44Å; A388-L446 HydrophobicContact CB-CB 4.48Å; A388-L446 HydrophobicContact CB-CD1 4.02Å; A388-L446 HydrophobicContact CB-CD2 3.59Å; A388-L446 HydrophobicContact CB-CG 4.23Å; F423-L446 HydrophobicContact CE1-CD2 4.1Å; F423-L446 HydrophobicContact CZ-CD2 4.45Å; I427-L446 HydrophobicContact CD1-CD1 4.31Å; I427-L446 HydrophobicContact CD1-CD2 4.3Å; L438-L446 HydrophobicContact CD2-CD1 3.64Å; Y442-L446 WeakPolarHBondContact O-CB 3.35Å; Y442-L446 VanDerWaalsContact O-CG 3.27Å; Y442-L446 WeakPolarHBondContact O-CG 3.36Å; Y442-L446 PolarHBondContact O-N 3.42Å; T444-L446 PolarHBondContact O-N 3.3Å; L446-K450 WeakPolarHBondContact O-CB 3.32Å; L446-K450 PolarHBondContact O-N 3.32Å
447F84.6Confident80.2Confident1 Ų148.1 Ų48.10%0.00424%0.236CC..Hα-helixtrans-67.7-41.8174.6-100.2-102000112.3I379 I381 V384 V443 T444 T445 K450 L451 Y466 L476I379-F447 HydrophobicContact CG2-CD1 4.02Å; I379-F447 HydrophobicContact CG2-CE1 3.51Å; I379-F447 HydrophobicContact CG2-CZ 4.22Å; I381-F447 HydrophobicContact CB-CE2 4.03Å; I381-F447 HydrophobicContact CB-CZ 4.05Å; I381-F447 HydrophobicContact CG1-CE2 3.79Å; I381-F447 HydrophobicContact CG1-CZ 3.5Å; I381-F447 HydrophobicContact CG2-CE2 4.15Å; V384-F447 HydrophobicContact CB-CD2 4.37Å; V384-F447 HydrophobicContact CB-CE2 4.08Å; V384-F447 HydrophobicContact CB-CZ 4.47Å; V384-F447 HydrophobicContact CG1-CD2 3.97Å; V384-F447 HydrophobicContact CG1-CE2 4.2Å; V384-F447 HydrophobicContact CG1-CG 4.43Å; V384-F447 HydrophobicContact CG2-CE1 4.41Å; V384-F447 HydrophobicContact CG2-CE2 4.18Å; V384-F447 HydrophobicContact CG2-CZ 4.08Å; V443-F447 HydrophobicContact CG1-CD2 3.69Å; V443-F447 HydrophobicContact CG1-CE2 3.89Å; V443-F447 VanDerWaalsContact O-CB 3.31Å; V443-F447 WeakPolarHBondContact O-CB 3.43Å; V443-F447 VanDerWaalsContact O-CD2 3.31Å; V443-F447 WeakPolarHBondContact O-CD2 3.36Å; V443-F447 PolarHBondContact O-N 2.94Å; T444-F447 PolarHBondContact O-N 3.19Å; T445-F447 VanDerWaalsContact C-N 3.33Å; T445-F447 PolarHBondContact O-N 2.9Å; F447-K450 PolarHBondContact O-N 3.09Å; F447-L451 WeakPolarHBondContact O-CB 3.18Å; F447-L451 VanDerWaalsContact O-CG 3.32Å; F447-L451 WeakPolarHBondContact O-CG 3.45Å; F447-L451 PolarHBondContact O-N 2.68Å; F447-Y466 AromaticContact CD1-CD1 3.93Å; F447-Y466 HydrophobicContact CD1-CD1 3.93Å; F447-Y466 HydrophobicContact CD1-CE1 4.07Å; F447-Y466 AromaticContact CE1-CD1 3.66Å; F447-Y466 HydrophobicContact CE1-CD1 3.66Å; F447-Y466 HydrophobicContact CE1-CE1 4.21Å; F447-Y466 HydrophobicContact CE1-CG 4.27Å; F447-Y466 HydrophobicContact CG-CE1 4.29Å; F447-Y466 HydrophobicContact CZ-CD1 4.09Å; F447-Y466 HydrophobicContact CZ-CG 4.34Å; F447-L476 HydrophobicContact CB-CD1 3.52Å; F447-L476 HydrophobicContact CD1-CD1 4.18Å; F447-L476 HydrophobicContact CG-CD1 4.24Å
448Q83.3Confident81.2Confident36 Ų3641.4 Ų41.417%0.16821%0.212CC..Hα-helixtrans-63-44.6175.9-77.7-179.3-12.900111T444 T445 K450 L451 N452 S475 L476T444-Q448 HydrophobicContact CG2-CG 4.42Å; T444-Q448 WeakPolarHBondContact O-CB 3.43Å; T444-Q448 WeakPolarHBondContact O-CG 3.15Å; T444-Q448 PolarHBondContact O-N 3.39Å; T445-Q448 PolarHBondContact O-N 2.88Å; Q448-K450 VanDerWaalsContact C-N 3.28Å; Q448-K450 PolarHBondContact O-N 3.38Å; Q448-L451 PolarHBondContact O-N 3.14Å; Q448-N452 VanDerWaalsContact O-CB 3.23Å; Q448-N452 WeakPolarHBondContact O-CB 3.43Å; Q448-N452 PolarHBondContact O-N 2.91Å; Q448-N452 PolarHBondContact O-ND2 2.9Å; Q448-N452 VanDerWaalsContact O-ND2 3.15Å; Q448-S475 PolarHBondContact NE2-O 3.16Å; Q448-L476 HydrophobicContact CG-CD1 4.48Å
449E84.1Confident82.1Confident87 Ų8741.6 Ų41.641%0.40721%0.212SC..Hα-helixtrans-57.3-43.8174.3-171.6-178178.300110.6R395 T445 N452 S453R395-E449 IonicContact NH1-OE1 3.96Å; R395-E449 PolarHBondContact NH1-OE1 3.48Å; T445-E449 PolarHBondContact O-N 3.35Å; E449-N452 PolarHBondContact O-N 3.01Å; E449-S453 PolarHBondContact O-N 3.36Å; E449-S453 VanDerWaalsContact O-N 3.1Å
450K85.2Confident82.9Confident45 Ų4540.6 Ų40.620%0.19620%0.202CC..Hα-helixtrans-67.8-43.1177.9-17063.6175.8177.90112.9V384 E387 L446 F447 Q448 N452 S453 C456V384-K450 HydrophobicContact CG1-CB 4.04Å; V384-K450 HydrophobicContact CG1-CG 4.42Å; V384-K450 HydrophobicContact CG2-CG 4.29Å; E387-K450 IonicContact OE1-NZ 2.84Å; E387-K450 PolarHBondContact OE1-NZ 3.46Å; E387-K450 VanDerWaalsContact OE2-CE 3.27Å; E387-K450 WeakPolarHBondContact OE2-CE 3.28Å; E387-K450 IonicContact OE2-NZ 3.75Å; E387-K450 PolarHBondContact OE2-NZ 3.23Å; L446-K450 WeakPolarHBondContact O-CB 3.32Å; L446-K450 PolarHBondContact O-N 3.32Å; F447-K450 PolarHBondContact O-N 3.09Å; Q448-K450 VanDerWaalsContact C-N 3.28Å; Q448-K450 PolarHBondContact O-N 3.38Å; K450-N452 VanDerWaalsContact C-N 3.31Å; K450-N452 PolarHBondContact O-N 3.03Å; K450-S453 WeakPolarHBondContact O-CB 3.46Å; K450-S453 PolarHBondContact O-N 2.67Å; K450-S453 VanDerWaalsContact O-N 3.16Å; K450-S453 PolarHBondContact O-OG 2.87Å; K450-C456 PolarHBondContact O-SG 2.96Å
451L85.4Confident83.7Confident0 Ų037 Ų370%018%0.183CC..Hα-helixtrans-67.9-32.2177.6-71.6174.8000112.2I379 F447 Q448 S453 C456 Y461 I463 L476 F477 L553I379-L451 HydrophobicContact CD1-CD2 3.4Å; I379-L451 HydrophobicContact CD1-CG 4.4Å; F447-L451 WeakPolarHBondContact O-CB 3.18Å; F447-L451 VanDerWaalsContact O-CG 3.32Å; F447-L451 WeakPolarHBondContact O-CG 3.45Å; F447-L451 PolarHBondContact O-N 2.68Å; Q448-L451 PolarHBondContact O-N 3.14Å; L451-S453 VanDerWaalsContact C-N 3.26Å; L451-S453 PolarHBondContact O-N 3.37Å; L451-C456 WeakPolarHBondContact O-CB 3.29Å; L451-Y461 HydrophobicContact CD2-CD1 3.73Å; L451-Y461 HydrophobicContact CD2-CD2 4.1Å; L451-Y461 HydrophobicContact CD2-CE1 3.76Å; L451-Y461 HydrophobicContact CD2-CE2 4.14Å; L451-Y461 HydrophobicContact CD2-CG 3.92Å; L451-I463 HydrophobicContact CD2-CD1 4.31Å; L451-L476 HydrophobicContact CD1-CD1 3.66Å; L451-L476 HydrophobicContact CD1-CD2 4.2Å; L451-L476 HydrophobicContact CD1-CG 3.93Å; L451-F477 HydrophobicContact CD1-CE1 4.25Å; L451-L553 HydrophobicContact CB-CD1 4.25Å; L451-L553 WeakPolarHBondContact O-CD2 3.39Å
452N85Confident84.5Confident69 Ų6929.6 Ų29.637%0.36915%0.148SC..THydrogen-bonded Turntrans-77.9-6.3173.2-79.8-45.1000113.9Q448 E449 K450 Q457 L553Q448-N452 VanDerWaalsContact O-CB 3.23Å; Q448-N452 WeakPolarHBondContact O-CB 3.43Å; Q448-N452 PolarHBondContact O-N 2.91Å; Q448-N452 PolarHBondContact O-ND2 2.9Å; Q448-N452 VanDerWaalsContact O-ND2 3.15Å; E449-N452 PolarHBondContact O-N 3.01Å; K450-N452 VanDerWaalsContact C-N 3.31Å; K450-N452 PolarHBondContact O-N 3.03Å; N452-Q457 PolarHBondContact O-NE2 3.16Å; N452-Q457 VanDerWaalsContact O-NE2 3.15Å; N452-L553 VanDerWaalsContact OD1-CD1 3.25Å; N452-L553 WeakPolarHBondContact OD1-CD1 3.23Å
453S84.7Confident85.2Confident30 Ų3026.7 Ų26.721%0.2114%0.137CC..SBendtrans-60.2142.9173.270.70000110.9E449 K450 L451 T455 C456 Q457E449-S453 PolarHBondContact O-N 3.36Å; E449-S453 VanDerWaalsContact O-N 3.1Å; K450-S453 WeakPolarHBondContact O-CB 3.46Å; K450-S453 PolarHBondContact O-N 2.67Å; K450-S453 VanDerWaalsContact O-N 3.16Å; K450-S453 PolarHBondContact O-OG 2.87Å; L451-S453 VanDerWaalsContact C-N 3.26Å; L451-S453 PolarHBondContact O-N 3.37Å; S453-T455 PolarHBondContact O-N 3.27Å; S453-T455 VanDerWaalsContact O-N 3.15Å; S453-C456 PolarHBondContact O-N 3.27Å; S453-C456 PolarHBondContact OG-SG 3.33Å; S453-Q457 PolarHBondContact O-N 2.83Å
454K83.8Confident85.6Confident76 Ų7626.2 Ų26.233%0.3313%0.134SC..Hα-helixtrans-54-36.4179.5-68.8-70.3-1711710112.6S278 C456 Q457 N458S278-K454 PolarHBondContact O-NZ 3.29Å; K454-C456 PolarHBondContact O-N 3.49Å; K454-Q457 PolarHBondContact O-N 2.87Å; K454-N458 WeakPolarHBondContact O-CB 3.33Å; K454-N458 VanDerWaalsContact O-CG 3.3Å; K454-N458 PolarHBondContact O-N 2.84Å; K454-N458 PolarHBondContact O-ND2 3.43Å
455T85Confident85.7Confident28 Ų2826.4 Ų26.417%0.17214%0.138CC..Hα-helixtrans-58.6-48.8175.5-380000111.6N219 P377 S453 Q459N219-T455 PolarHBondContact ND2-OG1 3.15Å; P377-T455 HydrophobicContact CG-CG2 3.75Å; S453-T455 PolarHBondContact O-N 3.27Å; S453-T455 VanDerWaalsContact O-N 3.15Å; T455-Q459 WeakPolarHBondContact O-CB 3.26Å; T455-Q459 PolarHBondContact O-N 2.9Å
456C85.1Confident85.8Confident0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-73.4-33.4-178-64.20000112.3K450 L451 S453 K454 G460 Y461K450-C456 PolarHBondContact O-SG 2.96Å; L451-C456 WeakPolarHBondContact O-CB 3.29Å; S453-C456 PolarHBondContact O-N 3.27Å; S453-C456 PolarHBondContact OG-SG 3.33Å; K454-C456 PolarHBondContact O-N 3.49Å; C456-G460 WeakPolarHBondContact CA-O 3.21Å; C456-G460 CarbonylContact O-C 3.59Å; C456-G460 WeakPolarHBondContact O-CA 3.45Å; C456-G460 PolarHBondContact O-N 2.85Å; C456-G460 VanDerWaalsContact O-N 3.13Å; C456-Y461 HydrophobicContact CB-CD1 4.2Å
457Q85Confident85.9Confident63 Ų6323.3 Ų23.329%0.29412%0.119SC..Hα-helixtrans-69.2-44.2175.8-70.5-176.9-6.800112.3N452 S453 K454 L553N452-Q457 PolarHBondContact O-NE2 3.16Å; N452-Q457 VanDerWaalsContact O-NE2 3.15Å; S453-Q457 PolarHBondContact O-N 2.83Å; K454-Q457 PolarHBondContact O-N 2.87Å; Q457-L553 HydrophobicContact CG-CD2 4.18Å
458N84.2Confident85.7Confident10 Ų1028.7 Ų28.75%0.05314%0.142CC..Hα-helixtrans-80.4-52-175.3-70.6-26.8000112.4W217 M279 K343 P350 K454W217-N458 HydrophobicContact CE3-CB 4.13Å; W217-N458 HydrophobicContact CH2-CB 4.33Å; W217-N458 WeakPolarHBondContact CH2-O 3.37Å; W217-N458 HydrophobicContact CZ3-CB 3.85Å; M279-N458 PolarHBondContact O-ND2 3.22Å; K343-N458 PolarHBondContact NZ-OD1 2.85Å; P350-N458 WeakPolarHBondContact CB-O 3.43Å; K454-N458 WeakPolarHBondContact O-CB 3.33Å; K454-N458 VanDerWaalsContact O-CG 3.3Å; K454-N458 PolarHBondContact O-N 2.84Å; K454-N458 PolarHBondContact O-ND2 3.43Å
459Q86Confident85.5Confident22 Ų2228.3 Ų28.310%0.10314%0.143CC..THydrogen-bonded Turntrans-88.7-27.5-174.5-59176.7-10.100112.3W217 P350 I351 L376 T455W217-Q459 HydrophobicContact CZ2-CB 4.49Å; W217-Q459 HydrophobicContact CZ2-CG 4.02Å; W217-Q459 PolarHBondContact O-NE2 3.01Å; P350-Q459 VanDerWaalsContact CA-O 3.3Å; P350-Q459 WeakPolarHBondContact CA-O 3.41Å; I351-Q459 PolarHBondContact N-O 3.3Å; I351-Q459 VanDerWaalsContact N-O 3.13Å; L376-Q459 HydrophobicContact CD2-CB 4.15Å; L376-Q459 WeakPolarHBondContact CD2-O 3.46Å; T455-Q459 WeakPolarHBondContact O-CB 3.26Å; T455-Q459 PolarHBondContact O-N 2.9Å
460G88.2Confident85.3Confident0 Ų027.6 Ų27.60%014%0.139CC..EExtended strand (participates in β ladder)trans98.3-165-170.400000112.1I351 P377 C456I351-G460 CarbonylContact O-C 3.52Å; I351-G460 VanDerWaalsContact O-CA 3.25Å; I351-G460 WeakPolarHBondContact O-CA 3.21Å; P377-G460 WeakPolarHBondContact CD-O 3.21Å; C456-G460 WeakPolarHBondContact CA-O 3.21Å; C456-G460 CarbonylContact O-C 3.59Å; C456-G460 WeakPolarHBondContact O-CA 3.45Å; C456-G460 PolarHBondContact O-N 2.85Å; C456-G460 VanDerWaalsContact O-N 3.13Å
461Y91.3Very high85Confident0 Ų033.3 Ų33.30%016%0.164CC..EExtended strand (participates in β ladder)trans-162.8161.6-17456.7-101.5000112I351 R352 L353 I379 L451 C456 I463 L553I351-Y461 PolarHBondContact O-N 3.38Å; R352-Y461 WeakPolarHBondContact CA-O 3.11Å; R352-Y461 HydrophobicContact CB-CE1 3.98Å; R352-Y461 HydrophobicContact CB-CE2 4.1Å; R352-Y461 HydrophobicContact CG-CD1 4.05Å; R352-Y461 HydrophobicContact CG-CE1 3.62Å; L353-Y461 PolarHBondContact N-O 2.9Å; I379-Y461 VanDerWaalsContact CD1-CB 3.41Å; I379-Y461 HydrophobicContact CD1-CD2 4.21Å; I379-Y461 HydrophobicContact CD1-CG 3.81Å; L451-Y461 HydrophobicContact CD2-CD1 3.73Å; L451-Y461 HydrophobicContact CD2-CD2 4.1Å; L451-Y461 HydrophobicContact CD2-CE1 3.76Å; L451-Y461 HydrophobicContact CD2-CE2 4.14Å; L451-Y461 HydrophobicContact CD2-CG 3.92Å; C456-Y461 HydrophobicContact CB-CD1 4.2Å; Y461-I463 HydrophobicContact CD2-CD1 4.02Å; Y461-I463 HydrophobicContact CD2-CG1 3.55Å; Y461-I463 HydrophobicContact CE2-CD1 3.59Å; Y461-I463 HydrophobicContact CE2-CG1 3.64Å; Y461-L553 PolarHBondContact OH-O 3.39Å
462I92.4Very high84.9Confident0 Ų034.9 Ų34.90%017%0.171CC..EExtended strand (participates in β ladder)trans-122.8116.2167.2-53-170.6000108.9L353 I355 A367 L370 L376 P377 I379L353-I462 HydrophobicContact CB-CG1 4.3Å; L353-I462 HydrophobicContact CB-CG2 4.49Å; L353-I462 HydrophobicContact CD1-CD1 4.16Å; L353-I462 HydrophobicContact CD1-CG1 4.31Å; L353-I462 WeakPolarHBondContact O-CA 3.43Å; I355-I462 HydrophobicContact CD1-CG2 3.67Å; I355-I462 HydrophobicContact CG1-CG2 4.16Å; A367-I462 HydrophobicContact CB-CG2 4.21Å; L370-I462 HydrophobicContact CB-CD1 3.42Å; L370-I462 VanDerWaalsContact CB-CD1 3.42Å; L376-I462 HydrophobicContact CB-CG1 4.38Å; L376-I462 HydrophobicContact CD1-CD1 4.24Å; L376-I462 HydrophobicContact CD1-CG1 4Å; P377-I462 PolarHBondContact O-N 2.88Å; I379-I462 PolarHBondContact N-O 3.23Å
463I91.3Very high84.7Confident0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-87.8126.3175.7-53.1178.1000109.7L353 I355 I379 L451 Y461 Y466 F477L353-I463 PolarHBondContact O-N 3.4Å; I355-I463 PolarHBondContact N-O 3.17Å; I379-I463 HydrophobicContact CB-CG1 4.38Å; L451-I463 HydrophobicContact CD2-CD1 4.31Å; Y461-I463 HydrophobicContact CD2-CD1 4.02Å; Y461-I463 HydrophobicContact CD2-CG1 3.55Å; Y461-I463 HydrophobicContact CE2-CD1 3.59Å; Y461-I463 HydrophobicContact CE2-CG1 3.64Å; I463-Y466 WeakPolarHBondContact CG2-O 3.5Å; I463-F477 HydrophobicContact CD1-CE1 4.38Å; I463-F477 HydrophobicContact CD1-CZ 4Å
464D90.3Very high84.7Confident4 Ų432.1 Ų32.12%0.02116%0.159CC..EExtended strand (participates in β ladder)trans-99.2109.5177.2179.717.2000111.8K363 T364 A367 H378 I379 H380 Y466K363-D464 WeakPolarHBondContact CD-OD1 3.37Å; T364-D464 VanDerWaalsContact CA-OD2 3.27Å; T364-D464 WeakPolarHBondContact CA-OD2 3.47Å; T364-D464 WeakPolarHBondContact CB-OD2 3.33Å; T364-D464 WeakPolarHBondContact CG2-OD2 3.42Å; T364-D464 PolarHBondContact OG1-OD2 3.27Å; A367-D464 HydrophobicContact CB-CB 4.09Å; H378-D464 IonicContact NE2-OD2 2.75Å; I379-D464 PolarHBondContact O-N 2.88Å; H380-D464 HydrophobicContact CB-CB 4.48Å; H380-D464 IonicContact CD2-OD2 3.07Å; H380-D464 PolarHBondContact CD2-OD2 3.01Å; D464-Y466 VanDerWaalsContact C-N 3.27Å; D464-Y466 PolarHBondContact O-N 2.89Å
465G81.3Confident84.6Confident15 Ų1531.1 Ų31.116%0.15516%0.162CC..SBendtrans67.521165.500000115.8I355I355-G465 PolarHBondContact O-N 3.47Å
466Y83.9Confident84.4Confident4 Ų429.9 Ų29.92%0.01615%0.154CC..  trans-137.9146176.9-169.3-103.4000108.9C354 I381 F447 I463 D464 K468 Q472 L476C354-Y466 PolarHBondContact SG-O 3Å; C354-Y466 VanDerWaalsContact SG-O 3.4Å; I381-Y466 HydrophobicContact CD1-CD2 3.62Å; I381-Y466 HydrophobicContact CD1-CE2 4.39Å; I381-Y466 HydrophobicContact CD1-CG 4.13Å; I381-Y466 HydrophobicContact CG1-CD2 4.11Å; I381-Y466 HydrophobicContact CG1-CG 4.21Å; F447-Y466 AromaticContact CD1-CD1 3.93Å; F447-Y466 HydrophobicContact CD1-CD1 3.93Å; F447-Y466 HydrophobicContact CD1-CE1 4.07Å; F447-Y466 AromaticContact CE1-CD1 3.66Å; F447-Y466 HydrophobicContact CE1-CD1 3.66Å; F447-Y466 HydrophobicContact CE1-CE1 4.21Å; F447-Y466 HydrophobicContact CE1-CG 4.27Å; F447-Y466 HydrophobicContact CG-CE1 4.29Å; F447-Y466 HydrophobicContact CZ-CD1 4.09Å; F447-Y466 HydrophobicContact CZ-CG 4.34Å; I463-Y466 WeakPolarHBondContact CG2-O 3.5Å; D464-Y466 VanDerWaalsContact C-N 3.27Å; D464-Y466 PolarHBondContact O-N 2.89Å; Y466-K468 HydrophobicContact CD2-CG 4.48Å; Y466-Q472 HydrophobicContact CE2-CB 4.41Å; Y466-Q472 HydrophobicContact CE2-CG 4.48Å; Y466-Q472 VanDerWaalsContact CE2-OE1 3.26Å; Y466-L476 HydrophobicContact CD1-CD2 3.96Å; Y466-L476 HydrophobicContact CE1-CD1 4.31Å; Y466-L476 HydrophobicContact CE1-CD2 3.77Å; Y466-L476 HydrophobicContact CE1-CG 4.48Å
467P84.6Confident84.3Confident0 Ų030.8 Ų30.80%016%0.159CC..  cis-74.81570.930.8-35.3000114.2Q472 A473 Q601 V645 F649P467-Q472 HydrophobicContact CB-CB 3.88Å; P467-A473 HydrophobicContact CB-CB 3.92Å; P467-A473 HydrophobicContact CG-CB 3.51Å; P467-Q601 PolarHBondContact O-NE2 3.08Å; P467-V645 HydrophobicContact CG-CG1 4.23Å; P467-F649 HydrophobicContact CG-CE2 4.31Å; P467-F649 HydrophobicContact CG-CZ 4.1Å
468K78.8Confident83.6Confident114 Ų11430.3 Ų30.350%0.49616%0.162SC..  trans-101.2-14179.8-61178.5-178.8172.10114.4Y466 Q472 N600Y466-K468 HydrophobicContact CD2-CG 4.48Å; K468-Q472 VanDerWaalsContact CB-OE1 3.32Å; K468-N600 WeakPolarHBondContact O-CB 3.44Å
469S79.4Confident82.5Confident27 Ų2735.9 Ų35.919%0.18920%0.199CC..SBendtrans-144.7158.917774.70000111.3K471 Q472 A473 V645S469-K471 VanDerWaalsContact C-N 3.25Å; S469-K471 PolarHBondContact O-N 2.69Å; S469-Q472 WeakPolarHBondContact O-CB 3.39Å; S469-Q472 PolarHBondContact O-N 3.08Å; S469-Q472 VanDerWaalsContact O-N 3.08Å; S469-Q472 WeakPolarHBondContact OG-CG 3.31Å; S469-Q472 PolarHBondContact OG-N 3.47Å; S469-A473 PolarHBondContact O-N 2.82Å; S469-V645 VanDerWaalsContact C-CG2 3.42Å; S469-V645 VanDerWaalsContact CA-CG2 3.49Å
470K79.8Confident80.7Confident72 Ų7238.8 Ų38.831%0.31322%0.221SC..Hα-helixtrans-55.6-39.6177179172.9-175.3-1760112.7Q472 A473 A474 E642 N643 Y648K470-Q472 VanDerWaalsContact C-N 3.34Å; K470-Q472 PolarHBondContact O-N 3.02Å; K470-A473 PolarHBondContact O-N 3.26Å; K470-A474 WeakPolarHBondContact O-CB 3.5Å; K470-A474 PolarHBondContact O-N 2.98Å; K470-E642 VanDerWaalsContact CD-O 3.24Å; K470-E642 WeakPolarHBondContact CD-O 3.23Å; K470-E642 WeakPolarHBondContact CE-O 3.35Å; K470-E642 PolarHBondContact NZ-O 3.01Å; K470-N643 WeakPolarHBondContact CB-O 3.46Å; K470-Y648 HydrophobicContact CG-CD2 4.46Å
471K80.2Confident78.1Confident165 Ų16542.4 Ų42.472%0.71726%0.259SS*.Hα-helixtrans-60.9-43.5176.3-68.7-172.2177.7-174.20111.5S469 A474 S475S469-K471 VanDerWaalsContact C-N 3.25Å; S469-K471 PolarHBondContact O-N 2.69Å; K471-A474 PolarHBondContact O-N 3.07Å; K471-S475 PolarHBondContact O-N 3.42Å; K471-S475 PolarHBondContact O-OG 3.48Å; K471-S475 VanDerWaalsContact O-OG 3.1Å
472Q82.2Confident75.2Confident34 Ų3446 Ų4616%0.15930%0.296CS..Hα-helixtrans-63.3-44.1176.3-68.7179.6-4.600111.9L440 Y466 P467 K468 S469 K470 S475 L476L440-Q472 HydrophobicContact CD1-CG 3.54Å; L440-Q472 HydrophobicContact CD2-CG 4.2Å; Y466-Q472 HydrophobicContact CE2-CB 4.41Å; Y466-Q472 HydrophobicContact CE2-CG 4.48Å; Y466-Q472 VanDerWaalsContact CE2-OE1 3.26Å; P467-Q472 HydrophobicContact CB-CB 3.88Å; K468-Q472 VanDerWaalsContact CB-OE1 3.32Å; S469-Q472 WeakPolarHBondContact O-CB 3.39Å; S469-Q472 PolarHBondContact O-N 3.08Å; S469-Q472 VanDerWaalsContact O-N 3.08Å; S469-Q472 WeakPolarHBondContact OG-CG 3.31Å; S469-Q472 PolarHBondContact OG-N 3.47Å; K470-Q472 VanDerWaalsContact C-N 3.34Å; K470-Q472 PolarHBondContact O-N 3.02Å; Q472-S475 PolarHBondContact O-N 3.27Å; Q472-L476 WeakPolarHBondContact O-CB 3.36Å; Q472-L476 PolarHBondContact O-N 2.79Å
473A82.2Confident72.1Confident0 Ų052.3 Ų52.30%034%0.34CS..Hα-helixtrans-63.1-44178.300000111.6P467 S469 K470 L476 F477 Y648P467-A473 HydrophobicContact CB-CB 3.92Å; P467-A473 HydrophobicContact CG-CB 3.51Å; S469-A473 PolarHBondContact O-N 2.82Å; K470-A473 PolarHBondContact O-N 3.26Å; A473-L476 PolarHBondContact O-N 2.89Å; A473-F477 WeakPolarHBondContact O-CD2 3.26Å; A473-F477 PolarHBondContact O-N 2.98Å; A473-F477 VanDerWaalsContact O-N 3.12Å; A473-Y648 HydrophobicContact CB-CD1 3.43Å; A473-Y648 VanDerWaalsContact CB-CD1 3.43Å; A473-Y648 HydrophobicContact CB-CD2 4.18Å; A473-Y648 HydrophobicContact CB-CE1 3.77Å; A473-Y648 HydrophobicContact CB-CE2 4.46Å; A473-Y648 HydrophobicContact CB-CG 3.66Å; A473-Y648 PolarHBondContact O-OH 3.14Å
474A83Confident69.1Low40 Ų4055.1 Ų55.133%0.33137%0.369SS..Hα-helixtrans-62.7-45.9177.700000112.3K470 K471 S478 Y648K470-A474 WeakPolarHBondContact O-CB 3.5Å; K470-A474 PolarHBondContact O-N 2.98Å; K471-A474 PolarHBondContact O-N 3.07Å; A474-S478 WeakPolarHBondContact O-CB 3.02Å; A474-S478 PolarHBondContact O-N 3.12Å; A474-S478 PolarHBondContact O-OG 3.12Å; A474-Y648 VanDerWaalsContact CA-CE2 3.45Å; A474-Y648 HydrophobicContact CB-CD2 4.3Å; A474-Y648 HydrophobicContact CB-CE2 3.82Å
475S81.4Confident66Low55 Ų5563.8 Ų63.839%0.38542%0.415SS..Hα-helixtrans-70-33.8177.7-56.60000112.4Q448 K471 Q472 S478Q448-S475 PolarHBondContact NE2-O 3.16Å; K471-S475 PolarHBondContact O-N 3.42Å; K471-S475 PolarHBondContact O-OG 3.48Å; K471-S475 VanDerWaalsContact O-OG 3.1Å; Q472-S475 PolarHBondContact O-N 3.27Å; S475-S478 PolarHBondContact O-OG 2.76Å; S475-S478 VanDerWaalsContact O-OG 3.12Å
476L82.2Confident63.4Low2 Ų266.3 Ų66.31%0.0144%0.442CS..Hα-helixtrans-68.4-44.2-179.5-178.666.2000112.7F447 Q448 L451 Y466 Q472 A473F447-L476 HydrophobicContact CB-CD1 3.52Å; F447-L476 HydrophobicContact CD1-CD1 4.18Å; F447-L476 HydrophobicContact CG-CD1 4.24Å; Q448-L476 HydrophobicContact CG-CD1 4.48Å; L451-L476 HydrophobicContact CD1-CD1 3.66Å; L451-L476 HydrophobicContact CD1-CD2 4.2Å; L451-L476 HydrophobicContact CD1-CG 3.93Å; Y466-L476 HydrophobicContact CD1-CD2 3.96Å; Y466-L476 HydrophobicContact CE1-CD1 4.31Å; Y466-L476 HydrophobicContact CE1-CD2 3.77Å; Y466-L476 HydrophobicContact CE1-CG 4.48Å; Q472-L476 WeakPolarHBondContact O-CB 3.36Å; Q472-L476 PolarHBondContact O-N 2.79Å; A473-L476 PolarHBondContact O-N 2.89Å
477F82.2Confident60.7Low20 Ų2074.4 Ų74.49%0.08848%0.48CS..Hα-helixtrans-106.96.4-173.2-56.5-68.5000113.9L451 I463 A473 L553 L554 P555 Y648 F649L451-F477 HydrophobicContact CD1-CE1 4.25Å; I463-F477 HydrophobicContact CD1-CE1 4.38Å; I463-F477 HydrophobicContact CD1-CZ 4Å; A473-F477 WeakPolarHBondContact O-CD2 3.26Å; A473-F477 PolarHBondContact O-N 2.98Å; A473-F477 VanDerWaalsContact O-N 3.12Å; F477-L553 VanDerWaalsContact CD1-O 3.26Å; F477-L553 WeakPolarHBondContact CD1-O 3.31Å; F477-L553 VanDerWaalsContact CE1-O 3.26Å; F477-L553 WeakPolarHBondContact CE1-O 3.26Å; F477-L554 HydrophobicContact CB-CD2 3.59Å; F477-L554 HydrophobicContact CD1-CD2 4.04Å; F477-L554 HydrophobicContact CD2-CD2 4.19Å; F477-L554 HydrophobicContact CG-CD2 3.71Å; F477-P555 HydrophobicContact CZ-CG 4.39Å; F477-Y648 WeakPolarHBondContact CB-OH 3.24Å; F477-Y648 AromaticContact CD2-CE1 3.94Å; F477-Y648 HydrophobicContact CD2-CE1 3.94Å; F477-F649 AromaticContact CE2-CE1 3.92Å; F477-F649 HydrophobicContact CE2-CE1 3.92Å; F477-F649 HydrophobicContact CE2-CZ 4.04Å
478S70.9Confident57.9Low52 Ų5282.7 Ų82.736%0.36452%0.518SS..SBendtrans-66.6135.2166.7510000109.2A474 S475 S480A474-S478 WeakPolarHBondContact O-CB 3.02Å; A474-S478 PolarHBondContact O-N 3.12Å; A474-S478 PolarHBondContact O-OG 3.12Å; S475-S478 PolarHBondContact O-OG 2.76Å; S475-S478 VanDerWaalsContact O-OG 3.12Å; S478-S480 PolarHBondContact O-N 3.38Å
479P61Low55.7Low127 Ų12784.5 Ų84.583%0.82553%0.534SS*.PPolyproline II helixtrans-58.2116.1166.624.8-29.7000106.9G481P479-G481 PolarHBondContact O-N 3.35Å
480S47.9Very low53.3Low83 Ų8392.2 Ų92.258%0.5857%0.567SS**PPolyproline II helixtrans-59.4124.3-179.555.30000108.9S478 G482S478-S480 PolarHBondContact O-N 3.38Å; S480-G482 PolarHBondContact O-N 3.28Å
481G34.5Very low50.7Low77 Ų7791.9 Ų91.979%0.79458%0.584SS**  trans-59115.7177.800000112P479P479-G481 PolarHBondContact O-N 3.35Å
482G29.2Very low48.4Very low76 Ų7691.5 Ų91.578%0.78458%0.584SS**  trans-8394.1150.600000108.2S480 G484S480-G482 PolarHBondContact O-N 3.28Å; G482-G484 PolarHBondContact O-N 3.1Å
483S28.7Very low45.8Very low132 Ų13297.8 Ų97.892%0.92361%0.614SS**  trans-78.884.6156.1-48.90000106.4
484G27.2Very low43.3Very low59 Ų59106 Ų10661%0.60865%0.652SS**SBendtrans-165.7112.1176.900000107.2G482 G486G482-G484 PolarHBondContact O-N 3.1Å; G484-G486 PolarHBondContact O-N 2.98Å
485D26.1Very low40.8Very low185 Ų185111.6 Ų111.699%0.98968%0.676SS**  trans-43.7118179.4-59.6-51.6000110.9
486G26.9Very low38.5Very low69 Ų69117.4 Ų117.471%0.71170%0.698SS**  trans-164.880.3-178.400000107G484G484-G486 PolarHBondContact O-N 2.98Å
487E26.4Very low36Very low174 Ų174126 Ų12681%0.81374%0.738SS**  trans-48.8151164.7-59.3178146.900109.3
488E26.6Very low33.5Very low173 Ų173133.6 Ų133.681%0.80877%0.773SS**  trans82.587.1159.3-56.2166.6-164.900117.6
489D30.8Very low31.7Very low153 Ų153140.5 Ų140.582%0.81880%0.8SS**SBendtrans-149.732136.9-117.1-4.8000110.9
490E29.1Very low30.1Very low189 Ų189143.9 Ų143.988%0.88381%0.805SS**SBendtrans-88.213.8161.1-71.2-168163.600111.2
491G27Very low29.2Very low65 Ų65149.6 Ų149.667%0.6782%0.822SS**  trans-96.5-3-17200000117.4
492E30.5Very low28.8Very low156 Ų156149 Ų14973%0.72982%0.816SS**SBendtrans-101.611177.9-71.7-168.6167.300113.9
493Q28.3Very low28.8Very low166 Ų166153.2 Ų153.278%0.77682%0.819SS**  trans-91.6-0.8179.7-85.9179.712.300115.6
494E29.8Very low28.7Very low174 Ų174155.8 Ų155.881%0.81381%0.813SS**SBendtrans-95.513.4-173.7-68.2-171.5163.200115.7
495N30Very low28.6Very low156 Ų156157.9 Ų157.983%0.83483%0.825SS**SBendtrans-135.412.9178.5-82.1-48.5000115.9
496E32.7Very low28.7Very low178 Ų178154.8 Ų154.883%0.83281%0.813SS**  trans-105.820.1174.9-70.9-171.4166.100113.1E498E496-E498 VanDerWaalsContact C-N 3.3Å; E496-E498 PolarHBondContact O-N 2.91Å
497E29.6Very low28.7Very low182 Ų182158.2 Ų158.285%0.8582%0.815SS**  trans-85.936.7179.2-64.8-163.8166.500114.4
498E30.6Very low28.8Very low179 Ų179157 Ų15784%0.83682%0.82SS**SBendtrans-145.3100.7172.8-95.6179.7-162.700110.3E496E496-E498 VanDerWaalsContact C-N 3.3Å; E496-E498 PolarHBondContact O-N 2.91Å
499E32.8Very low28.8Very low198 Ų198153.5 Ų153.593%0.92581%0.814SS**SBendtrans139.111.7163.8-76.3-171.9-174.500115.5E501E499-E501 VanDerWaalsContact C-N 3.29Å; E499-E501 PolarHBondContact O-N 2.91Å
500E28.5Very low28.7Very low197 Ų197153 Ų15392%0.92181%0.812SS**  trans-85.859163.5-72.3-161162.700112.6G502E500-G502 PolarHBondContact O-N 3.38Å; E500-G502 VanDerWaalsContact O-N 3.14Å
501E27.5Very low28.9Very low204 Ų204154.1 Ų154.195%0.95381%0.814SS**  trans-79.290.4160.3-80.3-154.9159.400109.8E499E499-E501 VanDerWaalsContact C-N 3.29Å; E499-E501 PolarHBondContact O-N 2.91Å
502G27.1Very low29.2Very low63 Ų63157.1 Ų157.165%0.64982%0.819SS**SBendtrans131.946.4147.800000119.4E500E500-G502 PolarHBondContact O-N 3.38Å; E500-G502 VanDerWaalsContact O-N 3.14Å
503I28.2Very low29.7Very low165 Ų165155.8 Ų155.885%0.84681%0.813SS**  trans-136.2109.3142.2-69.8100.3000108A505I503-A505 PolarHBondContact O-N 3.45Å
504K28Very low30.6Very low186 Ų186150.1 Ų150.181%0.80979%0.792SS**  trans-52.6126.3172.8-72.6177.5174.7179.20110T506K504-T506 PolarHBondContact O-N 3.45Å
505A25.1Very low31.5Very low104 Ų104142.1 Ų142.186%0.8676%0.756SS**  trans-50.9100.9159.400000109.3I503I503-A505 PolarHBondContact O-N 3.45Å
506T27.4Very low32.3Very low120 Ų120136.1 Ų136.174%0.73672%0.723SS**  trans-95.6110163.749.80000107.5K504K504-T506 PolarHBondContact O-N 3.45Å
507D26.9Very low33.1Very low140 Ų140132.1 Ų132.175%0.74971%0.705SS**  trans12.4115.1154.2-64.8-36.8000116.8S509D507-S509 PolarHBondContact O-N 2.96Å
508T27.5Very low34.2Very low150 Ų150127 Ų12792%0.9268%0.683SS**THydrogen-bonded Turntrans-49.378.9156.740.10000112
509S27.6Very low35.1Very low99 Ų99118.7 Ų118.769%0.69264%0.644SS**THydrogen-bonded Turntrans-162.8-2.3158.955.80000117.1D507D507-S509 PolarHBondContact O-N 2.96Å
510D28.2Very low36.1Very low143 Ų143114.7 Ų114.777%0.76562%0.623SS**  trans-124.626.3-167.6-89.1-7.8000117.3T512D510-T512 PolarHBondContact O-N 2.94Å; D510-T512 VanDerWaalsContact O-N 3.09Å
511F32.7Very low37.2Very low212 Ų212109.1 Ų109.193%0.9361%0.606SS**  trans-83.577.6172.5-87.1-85.2000112.3
512T34.9Very low38.3Very low127 Ų127104.7 Ų104.778%0.77959%0.585SS**  trans-123.249.8166.660.80000112.1D510D510-T512 PolarHBondContact O-N 2.94Å; D510-T512 VanDerWaalsContact O-N 3.09Å
513Q40Very low39.5Very low129 Ų129102.6 Ų102.660%0.60356%0.558SS**  trans-102.7117157.1-81.5-176.96.900109.1E517Q513-E517 VanDerWaalsContact CA-OE2 3.24Å; Q513-E517 WeakPolarHBondContact CA-OE2 3.18Å; Q513-E517 HydrophobicContact CB-CB 4.36Å
514S47.7Very low40.6Very low47 Ų4796.2 Ų96.233%0.32953%0.526SS..  trans-67.4153.9179.989.60000110.1N516 E517 L518S514-N516 PolarHBondContact O-N 3.31Å; S514-N516 PolarHBondContact OG-N 2.87Å; S514-E517 PolarHBondContact N-OE2 3.26Å; S514-E517 WeakPolarHBondContact O-CA 3.5Å; S514-E517 WeakPolarHBondContact O-CB 3.32Å; S514-E517 PolarHBondContact O-N 3.48Å; S514-L518 PolarHBondContact O-N 2.88Å
515A48.1Very low41.5Very low6 Ų691.1 Ų91.15%0.0551%0.512CS..Hα-helixtrans-57.2-24.5179.200000113F519 D650A515-F519 WeakPolarHBondContact O-CB 3.34Å; A515-F519 PolarHBondContact O-N 3.43Å; A515-D650 WeakPolarHBondContact CB-OD1 3.29Å
516N47.2Very low42.5Very low29 Ų2992.5 Ų92.516%0.15552%0.515CS..Hα-helixtrans-69.9-31.4169.7-78.4-33000113.4S514 K520 R646S514-N516 PolarHBondContact O-N 3.31Å; S514-N516 PolarHBondContact OG-N 2.87Å; N516-K520 WeakPolarHBondContact O-CB 3.48Å; N516-K520 VanDerWaalsContact O-CG 3.27Å; N516-K520 WeakPolarHBondContact O-CG 3.42Å; N516-K520 PolarHBondContact O-N 2.87Å; N516-R646 PolarHBondContact OD1-NH2 3.1Å
517E50.2Low43.5Very low95 Ų9595.8 Ų95.844%0.44452%0.522SS..Hα-helixtrans-77.3-34.7174.7-71.5175.6152.400111.7Q513 S514 K520 S521Q513-E517 VanDerWaalsContact CA-OE2 3.24Å; Q513-E517 WeakPolarHBondContact CA-OE2 3.18Å; Q513-E517 HydrophobicContact CB-CB 4.36Å; S514-E517 PolarHBondContact N-OE2 3.26Å; S514-E517 WeakPolarHBondContact O-CA 3.5Å; S514-E517 WeakPolarHBondContact O-CB 3.32Å; S514-E517 PolarHBondContact O-N 3.48Å; E517-K520 PolarHBondContact O-N 3.01Å; E517-S521 VanDerWaalsContact O-CB 3.25Å; E517-S521 WeakPolarHBondContact O-CB 3.48Å; E517-S521 PolarHBondContact O-N 3.47Å; E517-S521 PolarHBondContact O-OG 2.95Å
518L52.9Low44.3Very low73 Ų7395 Ų9538%0.38251%0.512SS..Hα-helixtrans-61.2-45.2165.7-85160.2000110.9S514 K520 S521 Q522S514-L518 PolarHBondContact O-N 2.88Å; L518-K520 PolarHBondContact O-N 3.43Å; L518-S521 PolarHBondContact O-N 2.91Å; L518-S521 PolarHBondContact O-OG 3.03Å; L518-Q522 WeakPolarHBondContact O-CB 3.37Å; L518-Q522 PolarHBondContact O-N 3.49Å
519F49.4Very low45Very low6 Ų695.3 Ų95.33%0.02650%0.503CS..Hα-helixtrans-62.6-43.8175.6-178.1-100.1000112.5A515 Y523 L524 V533 L540 I655 I657A515-F519 WeakPolarHBondContact O-CB 3.34Å; A515-F519 PolarHBondContact O-N 3.43Å; F519-Y523 AromaticContact CD2-CD2 3.51Å; F519-Y523 HydrophobicContact CD2-CD2 3.51Å; F519-Y523 HydrophobicContact CD2-CE2 4.25Å; F519-Y523 HydrophobicContact CD2-CG 4.29Å; F519-Y523 AromaticContact CE2-CD2 3.94Å; F519-Y523 HydrophobicContact CE2-CD2 3.94Å; F519-Y523 HydrophobicContact CE2-CG 4.32Å; F519-Y523 HydrophobicContact CG-CD2 4.22Å; F519-Y523 WeakPolarHBondContact O-CB 3.46Å; F519-Y523 PolarHBondContact O-N 3.04Å; F519-L524 HydrophobicContact CD1-CD1 3.85Å; F519-L524 HydrophobicContact CE1-CD1 3.65Å; F519-V533 HydrophobicContact CE1-CG2 3.74Å; F519-V533 HydrophobicContact CZ-CB 4.44Å; F519-V533 HydrophobicContact CZ-CG1 4.49Å; F519-V533 HydrophobicContact CZ-CG2 3.64Å; F519-L540 HydrophobicContact CE2-CD2 4.21Å; F519-L540 HydrophobicContact CZ-CD2 4.37Å; F519-I655 HydrophobicContact CD2-CG2 3.97Å; F519-I657 HydrophobicContact CE2-CG1 4.02Å
520K52.6Low46Very low113 Ų11391.5 Ų91.549%0.49148%0.477SS..Hα-helixtrans-66.3-41.1177.6-79.4177.3178.8-176.10112.8N516 E517 L518 L524N516-K520 WeakPolarHBondContact O-CB 3.48Å; N516-K520 VanDerWaalsContact O-CG 3.27Å; N516-K520 WeakPolarHBondContact O-CG 3.42Å; N516-K520 PolarHBondContact O-N 2.87Å; E517-K520 PolarHBondContact O-N 3.01Å; L518-K520 PolarHBondContact O-N 3.43Å; K520-L524 HydrophobicContact CG-CD1 4.25Å; K520-L524 PolarHBondContact O-N 3.16Å
521S51.1Low46.9Very low81 Ų8188 Ų8857%0.56646%0.458SS*.Hα-helixtrans-74.9-29.4-179.665.20000112.8E517 L518E517-S521 VanDerWaalsContact O-CB 3.25Å; E517-S521 WeakPolarHBondContact O-CB 3.48Å; E517-S521 PolarHBondContact O-N 3.47Å; E517-S521 PolarHBondContact O-OG 2.95Å; L518-S521 PolarHBondContact O-N 2.91Å; L518-S521 PolarHBondContact O-OG 3.03Å
522Q52.3Low47.7Very low110 Ų11078.9 Ų78.951%0.51442%0.42SS..Hα-helixtrans-95.9-25.7-174.1-156.7171.341.800113.5L518L518-Q522 WeakPolarHBondContact O-CB 3.37Å; L518-Q522 PolarHBondContact O-N 3.49Å
523Y51.3Low48.4Very low20 Ų2073.3 Ų73.38%0.07839%0.385CS..Hα-helixtrans-129.5-6.7-171.5-56.2-65.8000116.1F519 P541 Q543 I655 F679F519-Y523 AromaticContact CD2-CD2 3.51Å; F519-Y523 HydrophobicContact CD2-CD2 3.51Å; F519-Y523 HydrophobicContact CD2-CE2 4.25Å; F519-Y523 HydrophobicContact CD2-CG 4.29Å; F519-Y523 AromaticContact CE2-CD2 3.94Å; F519-Y523 HydrophobicContact CE2-CD2 3.94Å; F519-Y523 HydrophobicContact CE2-CG 4.32Å; F519-Y523 HydrophobicContact CG-CD2 4.22Å; F519-Y523 WeakPolarHBondContact O-CB 3.46Å; F519-Y523 PolarHBondContact O-N 3.04Å; Y523-P541 HydrophobicContact CD1-CG 3.55Å; Y523-P541 HydrophobicContact CE1-CG 3.69Å; Y523-Q543 PolarHBondContact OH-NE2 3.21Å; Y523-Q543 PolarHBondContact OH-OE1 2.9Å; Y523-Q543 VanDerWaalsContact OH-OE1 3.12Å; Y523-I655 HydrophobicContact CE2-CD1 4.35Å; Y523-F679 HydrophobicContact CE1-CE2 4.47Å
524L51.3Low48.6Very low31 Ų3167.6 Ų67.616%0.16236%0.359CS..SBendtrans-113.7131.8174.9-81.6107.5000111.8F519 K520 K528F519-L524 HydrophobicContact CD1-CD1 3.85Å; F519-L524 HydrophobicContact CE1-CD1 3.65Å; K520-L524 HydrophobicContact CG-CD1 4.25Å; K520-L524 PolarHBondContact O-N 3.16Å; L524-K528 HydrophobicContact CD2-CB 4.28Å; L524-K528 VanDerWaalsContact CD2-O 3.23Å; L524-K528 WeakPolarHBondContact CD2-O 3.38Å
525P47.1Very low48.4Very low79 Ų7972.9 Ų72.951%0.51338%0.376SS..  trans-59.9144163.1-15.728.6000109.8E527 K528P525-E527 PolarHBondContact O-N 2.86Å; P525-K528 PolarHBondContact O-N 3.41Å
526S47Very low48.1Very low133 Ų13378.2 Ų78.293%0.9340%0.4SS*.THydrogen-bonded Turntrans-53.8-0.4-168.46.50000117.9
527E47.1Very low47.8Very low188 Ų18883.9 Ų83.988%0.87943%0.429SS*.THydrogen-bonded Turntrans-126.24.3-171.1-65.9-173.4163.600115.3P525P525-E527 PolarHBondContact O-N 2.86Å
528K44.4Very low47.4Very low124 Ų12481.7 Ų81.754%0.53943%0.433SS..  trans-116132.8-178.3-72.9-176.2177.1179.10113.4L524 P525L524-K528 HydrophobicContact CD2-CB 4.28Å; L524-K528 VanDerWaalsContact CD2-O 3.23Å; L524-K528 WeakPolarHBondContact CD2-O 3.38Å; P525-K528 PolarHBondContact O-N 3.41Å
529E42.9Very low47.2Very low157 Ų15780.2 Ų80.273%0.73443%0.425SS*.  trans-71.1150.1171.7-69.1-16014800111.7D531E529-D531 PolarHBondContact O-N 3.34Å
530A48.7Very low47.3Very low18 Ų1880.6 Ų80.615%0.14943%0.427CS..THydrogen-bonded Turntrans-76.836.4-170.300000114.2A636A530-A636 HydrophobicContact CB-CB 4.46Å
531D46.5Very low47.5Very low70 Ų7078.1 Ų78.137%0.37442%0.422SS..THydrogen-bonded Turntrans-84.7-24.5-168.8-69.6-18.9000113.2E529E529-D531 PolarHBondContact O-N 3.34Å
532D48.3Very low47.9Very low21 Ų2178 Ų7811%0.11242%0.419CS..  trans-169.698.1175.2-143.9-23.5000112.4T534 K535 N660D532-T534 PolarHBondContact O-N 2.97Å; D532-T534 VanDerWaalsContact O-N 3.09Å; D532-T534 PolarHBondContact OD1-N 2.81Å; D532-T534 PolarHBondContact OD1-OG1 2.95Å; D532-K535 HydrophobicContact CB-CD 4.19Å; D532-K535 HydrophobicContact CB-CG 4.06Å; D532-N660 WeakPolarHBondContact OD1-CB 3.35Å; D532-N660 VanDerWaalsContact OD2-CB 3.23Å; D532-N660 WeakPolarHBondContact OD2-CB 3.34Å; D532-N660 PolarHBondContact OD2-ND2 3.45Å
533V51.1Low48.6Very low10 Ų1074 Ų746%0.06140%0.4CS..THydrogen-bonded Turntrans-72.1-1.6176.2-160.50000111.5F519 L539 L540F519-V533 HydrophobicContact CE1-CG2 3.74Å; F519-V533 HydrophobicContact CZ-CB 4.44Å; F519-V533 HydrophobicContact CZ-CG1 4.49Å; F519-V533 HydrophobicContact CZ-CG2 3.64Å; V533-L539 HydrophobicContact CG1-CB 3.97Å; V533-L540 HydrophobicContact CG1-CD2 3.69Å; V533-L540 HydrophobicContact CG1-CG 3.73Å
534T42.6Very low49.2Very low8 Ų878.2 Ų78.25%0.04943%0.43CS..THydrogen-bonded Turntrans-100.7-3-173.777.10000114.8D532 E536 V659 K675D532-T534 PolarHBondContact O-N 2.97Å; D532-T534 VanDerWaalsContact O-N 3.09Å; D532-T534 PolarHBondContact OD1-N 2.81Å; D532-T534 PolarHBondContact OD1-OG1 2.95Å; T534-E536 VanDerWaalsContact C-N 3.3Å; T534-E536 PolarHBondContact O-N 3.49Å; T534-V659 HydrophobicContact CG2-CG1 4.42Å; T534-K675 HydrophobicContact CG2-CD 4.17Å; T534-K675 WeakPolarHBondContact O-CE 3.49Å; T534-K675 PolarHBondContact O-NZ 3.23Å
535K44.8Very low49.9Very low159 Ų15979.4 Ų79.469%0.69144%0.436SS*.SBendtrans-66.1-26.6-176-86.1177.8-179173.40114.5D532D532-K535 HydrophobicContact CB-CD 4.19Å; D532-K535 HydrophobicContact CB-CG 4.06Å
536E41.8Very low50.9Low117 Ų11778.3 Ų78.355%0.54743%0.429SS..SBendtrans-128132.9177.9-71.7176154.900110.8T534 G538 L539T534-E536 VanDerWaalsContact C-N 3.3Å; T534-E536 PolarHBondContact O-N 3.49Å; E536-G538 PolarHBondContact O-N 3.22Å; E536-G538 VanDerWaalsContact O-N 3.15Å; E536-L539 HydrophobicContact CB-CD1 3.99Å; E536-L539 HydrophobicContact CB-CG 4.27Å
537L41.1Very low51.9Low148 Ų14880.3 Ų80.378%0.77543%0.425SS*.THydrogen-bonded Turntrans-58.7113.6166.5-90.9145.5000108.3
538G41.5Very low53.3Low50 Ų5078.4 Ų78.452%0.51542%0.417SS..THydrogen-bonded Turntrans118.1-1.1176.800000117E536E536-G538 PolarHBondContact O-N 3.22Å; E536-G538 VanDerWaalsContact O-N 3.15Å
539L48.8Very low54.8Low42 Ų4274.7 Ų74.722%0.2240%0.402CS..SBendtrans-75-28.1175.8-77166.5000113.7V533 E536 P541V533-L539 HydrophobicContact CG1-CB 3.97Å; E536-L539 HydrophobicContact CB-CD1 3.99Å; E536-L539 HydrophobicContact CB-CG 4.27Å; L539-P541 WeakPolarHBondContact O-CD 3.27Å
540L51.2Low56.4Low14 Ų1469.8 Ų69.87%0.07338%0.384CS..SBendtrans-94.5111172.7-77.1178.3000108.9F519 V533 I657 Y678 F679F519-L540 HydrophobicContact CE2-CD2 4.21Å; F519-L540 HydrophobicContact CZ-CD2 4.37Å; V533-L540 HydrophobicContact CG1-CD2 3.69Å; V533-L540 HydrophobicContact CG1-CG 3.73Å; L540-I657 HydrophobicContact CD1-CG2 4.47Å; L540-Y678 VanDerWaalsContact O-CE1 3.29Å; L540-Y678 WeakPolarHBondContact O-CE1 3.41Å; L540-F679 HydrophobicContact CB-CB 4.21Å; L540-F679 HydrophobicContact CB-CD2 3.68Å; L540-F679 HydrophobicContact CB-CE2 4.46Å; L540-F679 HydrophobicContact CB-CG 4.28Å; L540-F679 HydrophobicContact CD1-CB 4.09Å; L540-F679 HydrophobicContact CD1-CD2 4.03Å; L540-F679 HydrophobicContact CD1-CG 4.05Å; L540-F679 HydrophobicContact CD2-CD2 4.02Å; L540-F679 HydrophobicContact CD2-CE2 4.02Å; L540-F679 HydrophobicContact CG-CD2 4.12Å
541P56.2Low57.6Low60 Ų6078.2 Ų78.239%0.3942%0.417SS..PPolyproline II helixtrans-65.6145.9176.128.9-33.9000110.2Y523 L539 Q543Y523-P541 HydrophobicContact CD1-CG 3.55Å; Y523-P541 HydrophobicContact CE1-CG 3.69Å; L539-P541 WeakPolarHBondContact O-CD 3.27Å; P541-Q543 PolarHBondContact O-N 3.41Å; P541-Q543 PolarHBondContact O-NE2 3.01Å
542T59.5Low59.1Low80 Ų8077.5 Ų77.549%0.49143%0.427SS..PPolyproline II helixtrans-57.8125.3171.543.80000108.8Y678T542-Y678 HydrophobicContact CG2-CD1 4.48Å; T542-Y678 HydrophobicContact CG2-CD2 4.48Å; T542-Y678 HydrophobicContact CG2-CE1 4.18Å; T542-Y678 HydrophobicContact CG2-CE2 4.18Å; T542-Y678 VanDerWaalsContact CG2-O 3.27Å; T542-Y678 WeakPolarHBondContact CG2-O 3.48Å
543Q67.2Low60.6Low26 Ų2678.1 Ų78.112%0.12143%0.43CS..PPolyproline II helixtrans-69.6132.2179-63.9-67.7-61.400109.4Y523 P541 Y557 F679Y523-Q543 PolarHBondContact OH-NE2 3.21Å; Y523-Q543 PolarHBondContact OH-OE1 2.9Å; Y523-Q543 VanDerWaalsContact OH-OE1 3.12Å; P541-Q543 PolarHBondContact O-N 3.41Å; P541-Q543 PolarHBondContact O-NE2 3.01Å; Q543-Y557 VanDerWaalsContact CG-OH 3.25Å; Q543-Y557 WeakPolarHBondContact CG-OH 3.41Å; Q543-Y557 PolarHBondContact OE1-OH 3.16Å; Q543-F679 HydrophobicContact CG-CD2 4.08Å; Q543-F679 HydrophobicContact CG-CE1 4.32Å; Q543-F679 HydrophobicContact CG-CE2 3.72Å; Q543-F679 HydrophobicContact CG-CZ 3.84Å; Q543-F679 WeakPolarHBondContact CG-O 3.03Å; Q543-F679 PolarHBondContact N-O 2.9Å; Q543-F679 VanDerWaalsContact NE2-CE2 3.35Å
544P63.9Low62.2Low108 Ų10880.1 Ų80.170%0.70144%0.44SS*.PPolyproline II helixtrans-59.9146.1172.826.7-32.9000109P546P544-P546 WeakPolarHBondContact O-CD 3.42Å
545I66Low64.3Low55 Ų5579.9 Ų79.928%0.28244%0.438SS..PPolyproline II helixtrans-63.5124172.6-61.7177000106.6Q347 I349 M547Q347-I545 HydrophobicContact CB-CG2 4.35Å; Q347-I545 HydrophobicContact CG-CG2 4.48Å; Q347-I545 VanDerWaalsContact OE1-CD1 3.23Å; I349-I545 HydrophobicContact CD1-CG2 3.5Å; I349-I545 VanDerWaalsContact CD1-CG2 3.5Å; I545-M547 PolarHBondContact O-N 2.93Å
546P69.1Low66.2Low57 Ų5774.9 Ų74.937%0.3743%0.427SS..PPolyproline II helixtrans-54140.6179.7-26.334.4000111.1I349 P544 Q548I349-P546 HydrophobicContact CD1-CB 4.15Å; I349-P546 WeakPolarHBondContact CD1-O 3.44Å; I349-P546 HydrophobicContact CG2-CB 4.41Å; I349-P546 HydrophobicContact CG2-CG 4.26Å; P544-P546 WeakPolarHBondContact O-CD 3.42Å; P546-Q548 VanDerWaalsContact C-N 3.25Å; P546-Q548 WeakPolarHBondContact CB-O 3.4Å
547M67.7Low68.3Low175 Ų17571 Ų7186%0.86241%0.407SS*.SBendtrans-84.4-5.3174.8-66.1-179.364.200112.5I545I545-M547 PolarHBondContact O-N 2.93Å
548Q75Confident70.4Confident148 Ų14864 Ų6469%0.69237%0.37SS*.SBendtrans-133.6153.2-177.9-65.2179.9-5.900110.7P546P546-Q548 VanDerWaalsContact C-N 3.25Å; P546-Q548 WeakPolarHBondContact CB-O 3.4Å
549L76Confident72.6Confident46 Ų4661.6 Ų61.624%0.24135%0.346CS..PPolyproline II helixtrans-75.2136.8175.2-69.7168.9000110.5K340 K343 L344 K551K340-L549 HydrophobicContact CB-CD1 4.27Å; K340-L549 HydrophobicContact CG-CD1 4.08Å; K343-L549 HydrophobicContact CB-CD1 4.26Å; K343-L549 HydrophobicContact CB-CD2 4.12Å; K343-L549 HydrophobicContact CD-CD1 3.91Å; K343-L549 HydrophobicContact CD-CD2 4.22Å; L344-L549 HydrophobicContact CD2-CG 4.18Å; L549-K551 PolarHBondContact O-N 3.08Å
550P76.7Confident74.3Confident53 Ų5359.9 Ų59.934%0.34434%0.337SS..PPolyproline II helixtrans-69.6123.1-177.827.9-34.1000111.3P350 R352P350-P550 HydrophobicContact CG-CG 3.61Å; R352-P550 PolarHBondContact NH1-O 2.86Å; R352-P550 PolarHBondContact NH2-O 2.99Å
551K73.4Confident75.9Confident196 Ų19659.3 Ų59.385%0.85233%0.334SS*.PPolyproline II helixtrans-71.8137.9177-61.3-176.4-179.8-177.90110.6L549L549-K551 PolarHBondContact O-N 3.08Å
552G78.4Confident77.1Confident55 Ų5557 Ų5757%0.56732%0.318SS*.SBendtrans78.7-161176.800000115.4R352R352-G552 PolarHBondContact NH1-O 2.92Å; R352-G552 PolarHBondContact NH2-O 3.4Å; R352-G552 VanDerWaalsContact NH2-O 3.16Å
553L81.4Confident78.1Confident34 Ų3453.7 Ų53.718%0.17830%0.298CS..SBendtrans-117.321.4-177.9-61.8171.6000112.7L451 N452 Q457 Y461 F477L451-L553 HydrophobicContact CB-CD1 4.25Å; L451-L553 WeakPolarHBondContact O-CD2 3.39Å; N452-L553 VanDerWaalsContact OD1-CD1 3.25Å; N452-L553 WeakPolarHBondContact OD1-CD1 3.23Å; Q457-L553 HydrophobicContact CG-CD2 4.18Å; Y461-L553 PolarHBondContact OH-O 3.39Å; F477-L553 VanDerWaalsContact CD1-O 3.26Å; F477-L553 WeakPolarHBondContact CD1-O 3.31Å; F477-L553 VanDerWaalsContact CE1-O 3.26Å; F477-L553 WeakPolarHBondContact CE1-O 3.26Å
554L84.6Confident78.7Confident52 Ų5254.5 Ų54.527%0.27231%0.305SS..  trans-80.3143.2179.8-73.7171000110.7R352 F477 K652 I654R352-L554 WeakPolarHBondContact CD-O 3.46Å; F477-L554 HydrophobicContact CB-CD2 3.59Å; F477-L554 HydrophobicContact CD1-CD2 4.04Å; F477-L554 HydrophobicContact CD2-CD2 4.19Å; F477-L554 HydrophobicContact CG-CD2 3.71Å; L554-K652 HydrophobicContact CD1-CB 4.42Å; L554-I654 HydrophobicContact CB-CD1 3.98Å; L554-I654 HydrophobicContact CD1-CD1 4.26Å; L554-I654 HydrophobicContact CD2-CD1 3.82Å; L554-I654 HydrophobicContact CG-CD1 4.22Å
555P86.5Confident79.6Confident3 Ų350 Ų502%0.01928%0.275CS..  trans-67.5142.9171.428.7-32.6000110.5C354 F477 V558 F649 I654C354-P555 HydrophobicContact CB-CB 4.08Å; C354-P555 HydrophobicContact CB-CG 4.18Å; F477-P555 HydrophobicContact CZ-CG 4.39Å; P555-V558 HydrophobicContact CG-CG2 4.27Å; P555-F649 HydrophobicContact CG-CD1 4.46Å; P555-F649 HydrophobicContact CG-CE1 3.81Å; P555-I654 HydrophobicContact CG-CD1 4.33Å; P555-I654 WeakPolarHBondContact O-CG2 3.35Å
556A83.7Confident80.3Confident54 Ų5450.7 Ų50.745%0.44629%0.285SS..SBendtrans-73.2-37.8175.200000111.4R352R352-A556 PolarHBondContact O-N 3.3Å
557Y85.5Confident81Confident36 Ų3650.4 Ų50.414%0.14128%0.278CS..EExtended strand (participates in β ladder)trans-136142.9179.8-52.4-75.6000111.1L353 C354 Q543 I655 I657 F679L353-Y557 HydrophobicContact CD2-CD2 3.87Å; L353-Y557 HydrophobicContact CD2-CG 4.49Å; C354-Y557 PolarHBondContact N-O 3.29Å; C354-Y557 VanDerWaalsContact N-O 3.08Å; Q543-Y557 VanDerWaalsContact CG-OH 3.25Å; Q543-Y557 WeakPolarHBondContact CG-OH 3.41Å; Q543-Y557 PolarHBondContact OE1-OH 3.16Å; Y557-I655 HydrophobicContact CD1-CB 4.13Å; Y557-I655 HydrophobicContact CD1-CG2 4.4Å; Y557-I655 HydrophobicContact CE1-CD1 4.11Å; Y557-I657 HydrophobicContact CD1-CD1 4.13Å; Y557-F679 AromaticContact CD1-CE1 3.65Å; Y557-F679 HydrophobicContact CD1-CE1 3.65Å; Y557-F679 AromaticContact CD1-CZ 3.89Å; Y557-F679 HydrophobicContact CD1-CZ 3.89Å; Y557-F679 HydrophobicContact CD2-CE1 4.26Å; Y557-F679 AromaticContact CE1-CE1 3.67Å; Y557-F679 HydrophobicContact CE1-CE1 3.67Å; Y557-F679 AromaticContact CE1-CZ 3.58Å; Y557-F679 HydrophobicContact CE1-CZ 3.58Å; Y557-F679 HydrophobicContact CE2-CE1 4.28Å; Y557-F679 AromaticContact CG-CE1 3.96Å; Y557-F679 HydrophobicContact CG-CE1 3.96Å
558V85.9Confident81.8Confident0 Ų042 Ų420%024%0.237CC..EExtended strand (participates in β ladder)trans-113.8114.6169.6-178.90000108.2C354 L356 P555 F649 I654 I655 Q656 I657C354-V558 HydrophobicContact CB-CG1 4.4Å; C354-V558 HydrophobicContact CB-CG2 4.07Å; C354-V558 CarbonylContact O-C 3.31Å; C354-V558 WeakPolarHBondContact O-CA 3.26Å; L356-V558 HydrophobicContact CD1-CG1 3.64Å; L356-V558 HydrophobicContact CG-CG1 3.98Å; P555-V558 HydrophobicContact CG-CG2 4.27Å; V558-F649 HydrophobicContact CG1-CD2 4.44Å; V558-F649 HydrophobicContact CG1-CE2 4.44Å; V558-F649 HydrophobicContact CG2-CD1 3.87Å; V558-F649 HydrophobicContact CG2-CD2 3.98Å; V558-F649 HydrophobicContact CG2-CE1 4.01Å; V558-F649 HydrophobicContact CG2-CE2 4.1Å; V558-F649 HydrophobicContact CG2-CG 3.87Å; V558-F649 HydrophobicContact CG2-CZ 4.12Å; V558-I654 HydrophobicContact CG2-CG2 3.71Å; V558-I655 PolarHBondContact N-O 3.4Å; V558-Q656 HydrophobicContact CB-CG 4.15Å; V558-Q656 CarbonylContact O-C 3.54Å; V558-Q656 WeakPolarHBondContact O-CA 3.43Å; V558-I657 PolarHBondContact O-N 3.08Å
559F87.4Confident82.1Confident0 Ų038.3 Ų38.30%022%0.216CC..EExtended strand (participates in β ladder)trans-89.9114.7174.6-63-66000109.6L353 C354 I355 L356 I657 V659 L676 F679 I680L353-F559 HydrophobicContact CD1-CE2 4.29Å; L353-F559 HydrophobicContact CD2-CE2 3.93Å; C354-F559 PolarHBondContact O-N 3.29Å; I355-F559 HydrophobicContact CG1-CD2 4.43Å; L356-F559 PolarHBondContact N-O 3.33Å; L356-F559 VanDerWaalsContact O-O 3.11Å; F559-I657 HydrophobicContact CD1-CB 3.91Å; F559-I657 HydrophobicContact CD1-CD1 4.29Å; F559-I657 HydrophobicContact CD1-CG2 4.25Å; F559-I657 HydrophobicContact CE1-CB 4.19Å; F559-I657 HydrophobicContact CE1-CD1 3.7Å; F559-I657 HydrophobicContact CE1-CG1 4.47Å; F559-I657 HydrophobicContact CE1-CG2 4.42Å; F559-V659 HydrophobicContact CD1-CG2 4.26Å; F559-L676 HydrophobicContact CD1-CD1 4.49Å; F559-L676 HydrophobicContact CD1-CD2 3.46Å; F559-L676 VanDerWaalsContact CD1-CD2 3.46Å; F559-L676 HydrophobicContact CD2-CD1 4.33Å; F559-L676 HydrophobicContact CE1-CD2 3.35Å; F559-L676 HydrophobicContact CE2-CD2 4.4Å; F559-L676 HydrophobicContact CG-CD1 4.3Å; F559-L676 HydrophobicContact CG-CD2 4.08Å; F559-L676 HydrophobicContact CZ-CD2 3.87Å; F559-F679 HydrophobicContact CE1-CD1 4.09Å; F559-F679 HydrophobicContact CE1-CE1 4.32Å; F559-F679 HydrophobicContact CZ-CD1 4.07Å; F559-F679 HydrophobicContact CZ-CE1 4.35Å; F559-I680 HydrophobicContact CE2-CD1 4.02Å; F559-I680 HydrophobicContact CE2-CG1 4.47Å; F559-I680 HydrophobicContact CZ-CD1 4.03Å; F559-I680 HydrophobicContact CZ-CG1 4.07Å
560E84.8Confident82.4Confident6 Ų640.3 Ų40.33%0.02823%0.227CC..EExtended strand (participates in β ladder)trans-98.9102.2177.6-169.6-179.1-171.600109.8Q562 R646 I657 P658 V659E560-Q562 PolarHBondContact O-N 3Å; E560-R646 IonicContact OE2-CZ 3.94Å; E560-R646 IonicContact OE2-NH1 3.03Å; E560-R646 PolarHBondContact OE2-NH1 3.44Å; E560-I657 PolarHBondContact N-O 2.9Å; E560-P658 CarbonylContact O-C 3.57Å; E560-P658 WeakPolarHBondContact O-CA 3.46Å; E560-V659 PolarHBondContact O-N 3.3Å
561L85.8Confident82.7Confident1 Ų140.2 Ų40.21%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-69.7123.3176.2-71.2-175.7000110.9I355 L356 P358 K363 L366 V659 I661I355-L561 HydrophobicContact CG2-CD1 4.06Å; I355-L561 HydrophobicContact CG2-CG 4.32Å; L356-L561 WeakPolarHBondContact O-CB 3.42Å; L356-L561 PolarHBondContact O-N 3Å; P358-L561 WeakPolarHBondContact CD-O 3.42Å; K363-L561 HydrophobicContact CB-CD1 3.86Å; L366-L561 HydrophobicContact CD2-CD1 4.21Å; L366-L561 HydrophobicContact CD2-CD2 3.86Å; L561-V659 HydrophobicContact CD2-CB 4.04Å; L561-V659 HydrophobicContact CD2-CG1 3.93Å; L561-I661 HydrophobicContact CB-CD1 3.53Å; L561-I661 HydrophobicContact CB-CG1 4.29Å; L561-I661 HydrophobicContact CD1-CD1 4.04Å; L561-I661 HydrophobicContact CD2-CD1 3.91Å; L561-I661 HydrophobicContact CD2-CG1 3.86Å; L561-I661 HydrophobicContact CG-CD1 4.01Å; L561-I661 HydrophobicContact CG-CG1 4.5Å
562Q81Confident83.1Confident13 Ų1331.8 Ų31.86%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-114.3137.3-178.5-62.1-171.9-9.800111.5E560 P658 V659 I661E560-Q562 PolarHBondContact O-N 3Å; Q562-P658 HydrophobicContact CG-CB 4.46Å; Q562-V659 PolarHBondContact N-O 3.2Å; Q562-I661 PolarHBondContact O-N 3.49Å
563A80.2Confident83.2Confident10 Ų1036.2 Ų36.28%0.08319%0.191CC..  trans-156.6152176.800000110.5F567 L568A563-F567 HydrophobicContact CB-CD1 3.81Å; A563-F567 HydrophobicContact CB-CE1 4.36Å; A563-L568 HydrophobicContact CB-CD1 4.37Å; A563-L568 HydrophobicContact CB-CD2 3.84Å; A563-L568 HydrophobicContact CB-CG 3.92Å
564T80.5Confident83.3Confident42 Ų4241.2 Ų41.226%0.25822%0.218SC..  trans-74.7158.7173.954.10000112.1S566 F567 L568 M662T564-S566 VanDerWaalsContact C-N 3.33Å; T564-S566 PolarHBondContact O-N 3.04Å; T564-S566 PolarHBondContact OG1-OG 3.48Å; T564-F567 PolarHBondContact O-N 3.43Å; T564-F567 WeakPolarHBondContact OG1-CB 3.49Å; T564-F567 PolarHBondContact OG1-N 2.89Å; T564-L568 WeakPolarHBondContact O-CG 3.41Å; T564-L568 PolarHBondContact O-N 2.67Å; T564-M662 HydrophobicContact CG2-CE 4.01Å; T564-M662 HydrophobicContact CG2-SD 3.44Å; T564-M662 WeakPolarHBondContact CG2-SD 3.25Å; T564-M662 PolarHBondContact OG1-SD 3.17Å
565D82.1Confident83.1Confident15 Ų1541 Ų418%0.0822%0.217CC..Hα-helixtrans-63-39.4177.2-73.6-17.4000113.1L568 R569 W591 L594 R598D565-L568 PolarHBondContact O-N 3.45Å; D565-R569 VanDerWaalsContact O-CB 3.27Å; D565-R569 WeakPolarHBondContact O-CB 3.49Å; D565-R569 PolarHBondContact O-N 3.23Å; D565-W591 HydrophobicContact CB-CH2 4.08Å; D565-W591 HydrophobicContact CB-CZ3 4.48Å; D565-L594 WeakPolarHBondContact OD1-CD2 3.44Å; D565-R598 IonicContact OD1-CZ 2.87Å; D565-R598 IonicContact OD1-NE 2.82Å; D565-R598 IonicContact OD1-NH1 3.91Å; D565-R598 PolarHBondContact OD1-NH1 3.45Å; D565-R598 IonicContact OD1-NH2 3.4Å; D565-R598 PolarHBondContact OD1-NH2 3.13Å; D565-R598 IonicContact OD2-CZ 2.79Å; D565-R598 IonicContact OD2-NH1 2.68Å; D565-R598 PolarHBondContact OD2-NH1 3.49Å; D565-R598 IonicContact OD2-NH2 2.84Å; D565-R598 PolarHBondContact OD2-NH2 3.36Å
566S80.9Confident82.8Confident68 Ų6843 Ų4348%0.47623%0.23SC..Hα-helixtrans-60.1-50.4175.346.80000110.2T564 L568 R569 D570T564-S566 VanDerWaalsContact C-N 3.33Å; T564-S566 PolarHBondContact O-N 3.04Å; T564-S566 PolarHBondContact OG1-OG 3.48Å; S566-L568 PolarHBondContact O-N 3.21Å; S566-R569 WeakPolarHBondContact O-CB 3.35Å; S566-R569 PolarHBondContact O-N 3.37Å; S566-R569 VanDerWaalsContact O-N 3.17Å; S566-D570 WeakPolarHBondContact O-CB 3.4Å; S566-D570 PolarHBondContact O-N 3.31Å
567F83.8Confident82.6Confident51 Ų5148 Ų4822%0.22424%0.244CC..Hα-helixtrans-57.9-45.7179179.1-92.6000112.7A563 T564 D570 R571 I661 M662A563-F567 HydrophobicContact CB-CD1 3.81Å; A563-F567 HydrophobicContact CB-CE1 4.36Å; T564-F567 PolarHBondContact O-N 3.43Å; T564-F567 WeakPolarHBondContact OG1-CB 3.49Å; T564-F567 PolarHBondContact OG1-N 2.89Å; F567-D570 PolarHBondContact O-N 2.93Å; F567-R571 VanDerWaalsContact O-CB 3.28Å; F567-R571 WeakPolarHBondContact O-CB 3.09Å; F567-R571 PolarHBondContact O-N 2.94Å; F567-I661 HydrophobicContact CE1-CG2 4.06Å; F567-I661 HydrophobicContact CZ-CG2 4.2Å; F567-M662 HydrophobicContact CB-CG 4.41Å; F567-M662 HydrophobicContact CB-SD 4.42Å; F567-M662 HydrophobicContact CD1-CG 4.45Å; F567-M662 HydrophobicContact CD2-CG 4.23Å; F567-M662 HydrophobicContact CG-CG 4.12Å
568L83.5Confident82.3Confident0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-67.2-37.2179.1-65.6173.4000112.2P358 A360 A563 T564 D565 S566 I572 F590 L594P358-L568 HydrophobicContact CB-CD1 3.7Å; P358-L568 HydrophobicContact CG-CD1 3.74Å; P358-L568 HydrophobicContact CG-CD2 4.47Å; A360-L568 HydrophobicContact CB-CD2 4.41Å; A563-L568 HydrophobicContact CB-CD1 4.37Å; A563-L568 HydrophobicContact CB-CD2 3.84Å; A563-L568 HydrophobicContact CB-CG 3.92Å; T564-L568 WeakPolarHBondContact O-CG 3.41Å; T564-L568 PolarHBondContact O-N 2.67Å; D565-L568 PolarHBondContact O-N 3.45Å; S566-L568 PolarHBondContact O-N 3.21Å; L568-I572 WeakPolarHBondContact O-CG1 3.34Å; L568-I572 PolarHBondContact O-N 3.45Å; L568-F590 HydrophobicContact CB-CE2 4.34Å; L568-F590 HydrophobicContact CB-CZ 3.71Å; L568-L594 HydrophobicContact CD1-CD1 3.94Å
569R82.3Confident81.7Confident70 Ų7058.5 Ų58.526%0.26429%0.287SS..Hα-helixtrans-63.6-51.6175.2-172.9-164.7-58.5-130.98.7110.4D565 S566 R571 I572 M573 W591 G616D565-R569 VanDerWaalsContact O-CB 3.27Å; D565-R569 WeakPolarHBondContact O-CB 3.49Å; D565-R569 PolarHBondContact O-N 3.23Å; S566-R569 WeakPolarHBondContact O-CB 3.35Å; S566-R569 PolarHBondContact O-N 3.37Å; S566-R569 VanDerWaalsContact O-N 3.17Å; R569-R571 VanDerWaalsContact C-N 3.29Å; R569-R571 PolarHBondContact O-N 3.18Å; R569-I572 PolarHBondContact O-N 2.77Å; R569-I572 VanDerWaalsContact O-N 3.09Å; R569-M573 WeakPolarHBondContact O-CG 3.5Å; R569-M573 PolarHBondContact O-N 3.46Å; R569-W591 VanDerWaalsContact CZ-CZ2 3.45Å; R569-G616 PolarHBondContact NH2-O 2.85Å
570D82.9Confident81.1Confident87 Ų8760.4 Ų60.447%0.46530%0.298SS..Hα-helixtrans-62.1-38.8-178.8-65.8-19.3000111.2S566 F567 I572 M573 N574S566-D570 WeakPolarHBondContact O-CB 3.4Å; S566-D570 PolarHBondContact O-N 3.31Å; F567-D570 PolarHBondContact O-N 2.93Å; D570-I572 VanDerWaalsContact C-N 3.32Å; D570-I572 PolarHBondContact O-N 2.93Å; D570-M573 PolarHBondContact O-N 3.4Å; D570-N574 WeakPolarHBondContact O-CB 3.38Å; D570-N574 PolarHBondContact O-N 2.9Å; D570-N574 PolarHBondContact O-ND2 3.31Å
571R82Confident80.3Confident52 Ų5267.3 Ų67.320%0.19633%0.33CS..Hα-helixtrans-63.4-34.7175.2-170.2171.3-175.3151.23.4113.1A360 F567 R569 E667A360-R571 WeakPolarHBondContact O-CD 3.45Å; F567-R571 VanDerWaalsContact O-CB 3.28Å; F567-R571 WeakPolarHBondContact O-CB 3.09Å; F567-R571 PolarHBondContact O-N 2.94Å; R569-R571 VanDerWaalsContact C-N 3.29Å; R569-R571 PolarHBondContact O-N 3.18Å; R571-E667 PolarHBondContact NH2-O 3.14Å; R571-E667 VanDerWaalsContact NH2-O 3.15Å
572I81.8Confident79.4Confident18 Ų1871 Ų719%0.09237%0.369CS..Hα-helixtrans-74-41.1174.1-68.6165.8000110.6A360 L568 R569 D570 N574 M575 Y585 F590A360-I572 HydrophobicContact CB-CD1 3.78Å; A360-I572 HydrophobicContact CB-CG1 3.71Å; L568-I572 WeakPolarHBondContact O-CG1 3.34Å; L568-I572 PolarHBondContact O-N 3.45Å; R569-I572 PolarHBondContact O-N 2.77Å; R569-I572 VanDerWaalsContact O-N 3.09Å; D570-I572 VanDerWaalsContact C-N 3.32Å; D570-I572 PolarHBondContact O-N 2.93Å; I572-N574 VanDerWaalsContact C-N 3.29Å; I572-N574 PolarHBondContact O-N 3.32Å; I572-M575 VanDerWaalsContact O-CB 3.26Å; I572-M575 WeakPolarHBondContact O-CB 3.37Å; I572-M575 PolarHBondContact O-N 2.92Å; I572-M575 VanDerWaalsContact O-N 3.14Å; I572-Y585 HydrophobicContact CD1-CD1 3.71Å; I572-Y585 HydrophobicContact CD1-CE1 4.13Å; I572-Y585 HydrophobicContact CG1-CD1 4.03Å; I572-Y585 HydrophobicContact CG1-CE1 4.39Å; I572-F590 HydrophobicContact CD1-CB 4.33Å; I572-F590 HydrophobicContact CD1-CD1 4.08Å; I572-F590 HydrophobicContact CD1-CD2 3.15Å; I572-F590 HydrophobicContact CD1-CE1 4.18Å; I572-F590 HydrophobicContact CD1-CE2 3.28Å; I572-F590 HydrophobicContact CD1-CG 3.58Å; I572-F590 HydrophobicContact CD1-CZ 3.81Å
573M81.3Confident79.2Confident148 Ų14872.9 Ų72.973%0.72938%0.381SS*.Hα-helixtrans-63.4-34.9180-69.5-69.8-81.500112.6R569 D570 M575R569-M573 WeakPolarHBondContact O-CG 3.5Å; R569-M573 PolarHBondContact O-N 3.46Å; D570-M573 PolarHBondContact O-N 3.4Å; M573-M575 VanDerWaalsContact C-N 3.29Å
574N82.1Confident78.8Confident139 Ų13977 Ų7774%0.74340%0.399SS*.THydrogen-bonded Turntrans-85.81.8178-65.9-30.9000113.5D570 I572D570-N574 WeakPolarHBondContact O-CB 3.38Å; D570-N574 PolarHBondContact O-N 2.9Å; D570-N574 PolarHBondContact O-ND2 3.31Å; I572-N574 VanDerWaalsContact C-N 3.29Å; I572-N574 PolarHBondContact O-N 3.32Å
575M80.3Confident78.8Confident48 Ų4877.8 Ų77.824%0.23640%0.397CS..SBendtrans-80.5135.4-176.4-163.9174.5-68.500111.1I572 M573 K579 V580I572-M575 VanDerWaalsContact O-CB 3.26Å; I572-M575 WeakPolarHBondContact O-CB 3.37Å; I572-M575 PolarHBondContact O-N 2.92Å; I572-M575 VanDerWaalsContact O-N 3.14Å; M573-M575 VanDerWaalsContact C-N 3.29Å; M575-K579 HydrophobicContact CG-CB 3.7Å; M575-K579 HydrophobicContact CG-CD 3.98Å; M575-K579 HydrophobicContact CG-CG 4.41Å; M575-K579 HydrophobicContact SD-CB 3.67Å; M575-K579 HydrophobicContact SD-CD 4.27Å; M575-V580 HydrophobicContact CB-CG2 3.89Å; M575-V580 HydrophobicContact CG-CG2 4.06Å; M575-V580 HydrophobicContact SD-CG2 4.21Å
576P80.4Confident78.6Confident46 Ų4680.8 Ų80.830%0.29942%0.416SS..  trans-56.4142.6176.3-23.429.6000112.7Y578 K579 V580P576-Y578 HydrophobicContact CB-CD1 3.41Å; P576-Y578 VanDerWaalsContact CB-CD1 3.41Å; P576-Y578 HydrophobicContact CB-CE1 3.14Å; P576-Y578 HydrophobicContact CB-CG 4.36Å; P576-Y578 HydrophobicContact CG-CD1 4.43Å; P576-Y578 HydrophobicContact CG-CE1 3.69Å; P576-Y578 PolarHBondContact O-N 3.39Å; P576-Y578 VanDerWaalsContact O-N 3.12Å; P576-K579 PolarHBondContact O-N 3.49Å; P576-V580 PolarHBondContact O-N 2.96Å
577E79.4Confident78.3Confident157 Ų15783.9 Ų83.973%0.73442%0.423SS*.Hα-helixtrans-55.4-36.5-176.6-170.9174.3-171.500112.8K579 V580 H581E577-K579 PolarHBondContact O-N 2.93Å; E577-V580 PolarHBondContact O-N 3.33Å; E577-H581 WeakPolarHBondContact O-CB 3.42Å; E577-H581 PolarHBondContact O-N 3.15Å
578Y79.2Confident78.1Confident174 Ų17485.9 Ų85.968%0.68244%0.443SS*.Hα-helixtrans-63.2-25.6177.774.5-96.4000113.9P576P576-Y578 HydrophobicContact CB-CD1 3.41Å; P576-Y578 VanDerWaalsContact CB-CD1 3.41Å; P576-Y578 HydrophobicContact CB-CE1 3.14Å; P576-Y578 HydrophobicContact CB-CG 4.36Å; P576-Y578 HydrophobicContact CG-CD1 4.43Å; P576-Y578 HydrophobicContact CG-CE1 3.69Å; P576-Y578 PolarHBondContact O-N 3.39Å; P576-Y578 VanDerWaalsContact O-N 3.12Å
579K74.7Confident78Confident84 Ų8486.2 Ų86.237%0.36545%0.447SS..Hα-helixtrans-84.3-22.7174.1-67.6-172.9-179.4168.20112M575 P576 E577 T583 E667M575-K579 HydrophobicContact CG-CB 3.7Å; M575-K579 HydrophobicContact CG-CD 3.98Å; M575-K579 HydrophobicContact CG-CG 4.41Å; M575-K579 HydrophobicContact SD-CB 3.67Å; M575-K579 HydrophobicContact SD-CD 4.27Å; P576-K579 PolarHBondContact O-N 3.49Å; E577-K579 PolarHBondContact O-N 2.93Å; K579-T583 WeakPolarHBondContact O-CG2 3.37Å; K579-E667 IonicContact NZ-OE2 3.58Å; K579-E667 PolarHBondContact NZ-OE2 2.93Å
580V74.1Confident78Confident40 Ų4083.2 Ų83.224%0.24244%0.436CS..Hα-helixtrans-91.2-35.2-178.2179.40000111.3M575 P576 E577 G582 T583M575-V580 HydrophobicContact CB-CG2 3.89Å; M575-V580 HydrophobicContact CG-CG2 4.06Å; M575-V580 HydrophobicContact SD-CG2 4.21Å; P576-V580 PolarHBondContact O-N 2.96Å; E577-V580 PolarHBondContact O-N 3.33Å; V580-G582 PolarHBondContact O-N 3Å; V580-T583 WeakPolarHBondContact O-CB 3.36Å; V580-T583 PolarHBondContact O-N 3.46Å; V580-T583 VanDerWaalsContact O-N 3.08Å; V580-T583 PolarHBondContact O-OG1 2.97Å
581H67.7Low77.9Confident150 Ų15081.6 Ų81.669%0.69442%0.423SS*.THydrogen-bonded Turntrans-59.5128.8-177.6-169.5-78.1000111.6E577 T583E577-H581 WeakPolarHBondContact O-CB 3.42Å; E577-H581 PolarHBondContact O-N 3.15Å; H581-T583 VanDerWaalsContact C-N 3.28Å; H581-T583 PolarHBondContact O-N 3.34Å
582G67.2Low77.9Confident80 Ų8084.1 Ų84.183%0.82543%0.433SS*.THydrogen-bonded Turntrans77.75.3-177.800000115.2V580V580-G582 PolarHBondContact O-N 3Å
583T76.3Confident77.9Confident52 Ų5286 Ų8632%0.31944%0.439SS..SBendtrans-103.7167.4175.475.40000112.1K579 V580 H581 Y585K579-T583 WeakPolarHBondContact O-CG2 3.37Å; V580-T583 WeakPolarHBondContact O-CB 3.36Å; V580-T583 PolarHBondContact O-N 3.46Å; V580-T583 VanDerWaalsContact O-N 3.08Å; V580-T583 PolarHBondContact O-OG1 2.97Å; H581-T583 VanDerWaalsContact C-N 3.28Å; H581-T583 PolarHBondContact O-N 3.34Å; T583-Y585 HydrophobicContact CG2-CD2 4.08Å; T583-Y585 HydrophobicContact CG2-CE2 4.41Å; T583-Y585 PolarHBondContact O-N 2.79Å; T583-Y585 WeakPolarHBondContact OG1-CB 3.4Å; T583-Y585 WeakPolarHBondContact OG1-CD2 3.41Å; T583-Y585 PolarHBondContact OG1-N 3.45Å
584H72.9Confident77.9Confident97 Ų9779 Ų7945%0.44940%0.404SS..SBendtrans-81.824171-63.7-61.6000113.2T586 G589 F590 R593H584-T586 PolarHBondContact O-N 3.43Å; H584-G589 CarbonylContact O-C 3.13Å; H584-G589 VanDerWaalsContact O-C 3.31Å; H584-F590 PolarHBondContact O-N 3.02Å; H584-R593 PolarHBondContact O-NH2 3.49Å
585Y79.2Confident77.8Confident57 Ų5775.3 Ų75.322%0.22438%0.384CS..  trans-8216.9177.2-67.9-55.7000113.6A360 I572 T583 R593A360-Y585 HydrophobicContact CB-CE1 3.97Å; I572-Y585 HydrophobicContact CD1-CD1 3.71Å; I572-Y585 HydrophobicContact CD1-CE1 4.13Å; I572-Y585 HydrophobicContact CG1-CD1 4.03Å; I572-Y585 HydrophobicContact CG1-CE1 4.39Å; T583-Y585 HydrophobicContact CG2-CD2 4.08Å; T583-Y585 HydrophobicContact CG2-CE2 4.41Å; T583-Y585 PolarHBondContact O-N 2.79Å; T583-Y585 WeakPolarHBondContact OG1-CB 3.4Å; T583-Y585 WeakPolarHBondContact OG1-CD2 3.41Å; T583-Y585 PolarHBondContact OG1-N 3.45Å; Y585-R593 VanDerWaalsContact CE1-NH2 3.3Å
586T79.3Confident77.7Confident79 Ų7977.2 Ų77.249%0.48539%0.393SS..SBendtrans-59147158.455.80000110.3H584 S588 G589 F590H584-T586 PolarHBondContact O-N 3.43Å; T586-S588 PolarHBondContact O-N 3.5Å; T586-G589 CarbonylContact O-C 3.52Å; T586-G589 PolarHBondContact O-N 2.95Å; T586-G589 PolarHBondContact OG1-N 3.15Å; T586-F590 WeakPolarHBondContact O-CB 3.38Å; T586-F590 PolarHBondContact O-N 3.21Å
587E75Confident77.7Confident132 Ų13276.6 Ų76.662%0.61739%0.385SS*.Hα-helixtrans-49.3-53-179.2-174.3174.7-16500112.8G589 F590 W591E587-G589 PolarHBondContact O-N 3.23Å; E587-F590 PolarHBondContact O-N 3.17Å; E587-W591 PolarHBondContact O-N 3.06Å; E587-W591 VanDerWaalsContact O-N 3.07Å
588S79.6Confident77.7Confident93 Ų9371.4 Ų71.465%0.6536%0.358SS*.Hα-helixtrans-62.2-43.1178.258.80000113.1T586 R592T586-S588 PolarHBondContact O-N 3.5Å; S588-R592 WeakPolarHBondContact O-CB 3.49Å; S588-R592 PolarHBondContact O-N 2.63Å
589G79.6Confident77.5Confident7 Ų765.3 Ų65.37%0.07234%0.339CS..Hα-helixtrans-67.7-32.9178.300000114H584 T586 E587 R593H584-G589 CarbonylContact O-C 3.13Å; H584-G589 VanDerWaalsContact O-C 3.31Å; T586-G589 CarbonylContact O-C 3.52Å; T586-G589 PolarHBondContact O-N 2.95Å; T586-G589 PolarHBondContact OG1-N 3.15Å; E587-G589 PolarHBondContact O-N 3.23Å; G589-R593 WeakPolarHBondContact O-CG 3.42Å; G589-R593 PolarHBondContact O-N 2.82Å; G589-R593 PolarHBondContact O-NE 3.4Å
590F83Confident77.6Confident7 Ų764.5 Ų64.53%0.03134%0.339CS..Hα-helixtrans-69.9-53174.7170.7-109.9000110.8P359 A360 L568 I572 H584 T586 E587 R592 R593 L594P359-F590 HydrophobicContact CB-CD2 4.38Å; P359-F590 HydrophobicContact CB-CE2 4.29Å; P359-F590 HydrophobicContact CG-CD2 4.19Å; P359-F590 HydrophobicContact CG-CE2 3.92Å; A360-F590 HydrophobicContact CB-CE2 4.48Å; L568-F590 HydrophobicContact CB-CE2 4.34Å; L568-F590 HydrophobicContact CB-CZ 3.71Å; I572-F590 HydrophobicContact CD1-CB 4.33Å; I572-F590 HydrophobicContact CD1-CD1 4.08Å; I572-F590 HydrophobicContact CD1-CD2 3.15Å; I572-F590 HydrophobicContact CD1-CE1 4.18Å; I572-F590 HydrophobicContact CD1-CE2 3.28Å; I572-F590 HydrophobicContact CD1-CG 3.58Å; I572-F590 HydrophobicContact CD1-CZ 3.81Å; H584-F590 PolarHBondContact O-N 3.02Å; T586-F590 WeakPolarHBondContact O-CB 3.38Å; T586-F590 PolarHBondContact O-N 3.21Å; E587-F590 PolarHBondContact O-N 3.17Å; F590-R592 VanDerWaalsContact C-N 3.31Å; F590-R592 PolarHBondContact O-N 2.85Å; F590-R593 PolarHBondContact O-N 2.97Å; F590-R593 VanDerWaalsContact O-N 3.12Å; F590-L594 HydrophobicContact CE1-CD2 3.92Å; F590-L594 HydrophobicContact CZ-CD2 3.77Å; F590-L594 WeakPolarHBondContact O-CB 3.35Å; F590-L594 PolarHBondContact O-N 3.48Å
591W81.1Confident77.3Confident53 Ų5362.9 Ų62.920%0.20133%0.329CS..Hα-helixtrans-58.9-41.1179-75.4114.9000112.7D565 R569 E587 R593 L594 N595D565-W591 HydrophobicContact CB-CH2 4.08Å; D565-W591 HydrophobicContact CB-CZ3 4.48Å; R569-W591 VanDerWaalsContact CZ-CZ2 3.45Å; E587-W591 PolarHBondContact O-N 3.06Å; E587-W591 VanDerWaalsContact O-N 3.07Å; W591-R593 PolarHBondContact O-N 3.12Å; W591-L594 HydrophobicContact CE3-CD2 3.96Å; W591-L594 HydrophobicContact CH2-CD2 4.41Å; W591-L594 HydrophobicContact CZ3-CD2 3.7Å; W591-L594 PolarHBondContact O-N 3.27Å; W591-N595 WeakPolarHBondContact O-CB 3.4Å; W591-N595 PolarHBondContact O-N 2.91Å
592R82.5Confident77.1Confident106 Ų10656.5 Ų56.540%0.430%0.3SS..Hα-helixtrans-57.2-49.7174.6-174.5-179.966.983.20.7111.6S588 F590 E596S588-R592 WeakPolarHBondContact O-CB 3.49Å; S588-R592 PolarHBondContact O-N 2.63Å; F590-R592 VanDerWaalsContact C-N 3.31Å; F590-R592 PolarHBondContact O-N 2.85Å; R592-E596 WeakPolarHBondContact CG-OE1 3.27Å; R592-E596 IonicContact CZ-OE1 3.39Å; R592-E596 IonicContact NH1-OE1 3.13Å; R592-E596 PolarHBondContact NH1-OE1 3.26Å; R592-E596 IonicContact NH1-OE2 2.66Å; R592-E596 WeakPolarHBondContact O-CB 3.27Å; R592-E596 VanDerWaalsContact O-CG 3.27Å; R592-E596 WeakPolarHBondContact O-CG 3.19Å; R592-E596 PolarHBondContact O-N 2.83Å
593R80.5Confident76.7Confident58 Ų5853.5 Ų53.522%0.21927%0.269CS..Hα-helixtrans-67.4-35.9-179.8-72.6-174.3-65.11590.7112.8P359 H584 Y585 G589 F590 W591 Y597P359-R593 HydrophobicContact CB-CB 4.49Å; P359-R593 HydrophobicContact CG-CB 4.16Å; H584-R593 PolarHBondContact O-NH2 3.49Å; Y585-R593 VanDerWaalsContact CE1-NH2 3.3Å; G589-R593 WeakPolarHBondContact O-CG 3.42Å; G589-R593 PolarHBondContact O-N 2.82Å; G589-R593 PolarHBondContact O-NE 3.4Å; F590-R593 PolarHBondContact O-N 2.97Å; F590-R593 VanDerWaalsContact O-N 3.12Å; W591-R593 PolarHBondContact O-N 3.12Å; R593-Y597 WeakPolarHBondContact O-CB 3.38Å; R593-Y597 PolarHBondContact O-N 3.18Å
594L82.1Confident75.7Confident1 Ų153.4 Ų53.41%0.00527%0.266CS..Hα-helixtrans-69.4-44.2178.9-175.362.3000111.4P358 P359 D565 L568 F590 W591 Y597 R598P358-L594 HydrophobicContact CB-CD1 3.72Å; P359-L594 HydrophobicContact CG-CB 4.07Å; P359-L594 HydrophobicContact CG-CD1 4.15Å; D565-L594 WeakPolarHBondContact OD1-CD2 3.44Å; L568-L594 HydrophobicContact CD1-CD1 3.94Å; F590-L594 HydrophobicContact CE1-CD2 3.92Å; F590-L594 HydrophobicContact CZ-CD2 3.77Å; F590-L594 WeakPolarHBondContact O-CB 3.35Å; F590-L594 PolarHBondContact O-N 3.48Å; W591-L594 HydrophobicContact CE3-CD2 3.96Å; W591-L594 HydrophobicContact CH2-CD2 4.41Å; W591-L594 HydrophobicContact CZ3-CD2 3.7Å; W591-L594 PolarHBondContact O-N 3.27Å; L594-Y597 WeakPolarHBondContact O-CB 3.46Å; L594-Y597 PolarHBondContact O-N 3.24Å; L594-R598 WeakPolarHBondContact O-CG 3.38Å; L594-R598 PolarHBondContact O-N 2.86Å
595N80.2Confident74.5Confident60 Ų6052.3 Ų52.332%0.32126%0.263SS..Hα-helixtrans-63.3-45.9174.1-75.8-13.4000111.2W591 Y597 R598 T599W591-N595 WeakPolarHBondContact O-CB 3.4Å; W591-N595 PolarHBondContact O-N 2.91Å; N595-Y597 VanDerWaalsContact C-N 3.29Å; N595-Y597 PolarHBondContact O-N 2.98Å; N595-R598 PolarHBondContact O-N 3.46Å; N595-T599 WeakPolarHBondContact O-CB 3.31Å; N595-T599 PolarHBondContact O-N 2.7Å; N595-T599 PolarHBondContact O-OG1 3.29Å; N595-T599 VanDerWaalsContact O-OG1 3.06Å
596E78.7Confident72.8Confident88 Ų8852.3 Ų52.341%0.41127%0.27SS..Hα-helixtrans-56.3-42.6173.9-77.8170.6-167.200112R592 N600R592-E596 WeakPolarHBondContact CG-OE1 3.27Å; R592-E596 IonicContact CZ-OE1 3.39Å; R592-E596 IonicContact NH1-OE1 3.13Å; R592-E596 PolarHBondContact NH1-OE1 3.26Å; R592-E596 IonicContact NH1-OE2 2.66Å; R592-E596 WeakPolarHBondContact O-CB 3.27Å; R592-E596 VanDerWaalsContact O-CG 3.27Å; R592-E596 WeakPolarHBondContact O-CG 3.19Å; R592-E596 PolarHBondContact O-N 2.83Å; E596-N600 WeakPolarHBondContact O-CB 3.33Å; E596-N600 PolarHBondContact O-N 3.21Å; E596-N600 VanDerWaalsContact O-N 3.14Å; E596-N600 PolarHBondContact O-ND2 2.71Å
597Y80.4Confident71Confident33 Ų3352.8 Ų52.813%0.12928%0.282CS..Hα-helixtrans-61.3-51.8175.8174.7-90.5000111.1G357 P358 R593 L594 N595 T599 N600 Q601G357-Y597 VanDerWaalsContact CA-OH 3.26Å; G357-Y597 WeakPolarHBondContact CA-OH 3.21Å; G357-Y597 PolarHBondContact N-OH 3.16Å; G357-Y597 WeakPolarHBondContact O-CE2 3.36Å; P358-Y597 HydrophobicContact CB-CD1 4.05Å; P358-Y597 HydrophobicContact CB-CE1 4.11Å; R593-Y597 WeakPolarHBondContact O-CB 3.38Å; R593-Y597 PolarHBondContact O-N 3.18Å; L594-Y597 WeakPolarHBondContact O-CB 3.46Å; L594-Y597 PolarHBondContact O-N 3.24Å; N595-Y597 VanDerWaalsContact C-N 3.29Å; N595-Y597 PolarHBondContact O-N 2.98Å; Y597-T599 PolarHBondContact O-N 3.11Å; Y597-N600 PolarHBondContact O-N 3.02Å; Y597-Q601 HydrophobicContact CD2-CG 3.72Å; Y597-Q601 HydrophobicContact CE1-CB 4.21Å; Y597-Q601 HydrophobicContact CE1-CG 4.35Å; Y597-Q601 HydrophobicContact CE2-CB 4.25Å; Y597-Q601 HydrophobicContact CE2-CG 3.54Å; Y597-Q601 HydrophobicContact CG-CG 4.21Å; Y597-Q601 WeakPolarHBondContact O-CB 3.23Å; Y597-Q601 WeakPolarHBondContact O-CG 3.39Å; Y597-Q601 PolarHBondContact O-N 3.09Å
598R78.1Confident69.4Low48 Ų4852.8 Ų52.818%0.18129%0.285CS..Hα-helixtrans-62.2-42-177.1-74.7-177.2162.7171.3-2.8113.1D565 L594 N595 I602 G603D565-R598 IonicContact OD1-CZ 2.87Å; D565-R598 IonicContact OD1-NE 2.82Å; D565-R598 IonicContact OD1-NH1 3.91Å; D565-R598 PolarHBondContact OD1-NH1 3.45Å; D565-R598 IonicContact OD1-NH2 3.4Å; D565-R598 PolarHBondContact OD1-NH2 3.13Å; D565-R598 IonicContact OD2-CZ 2.79Å; D565-R598 IonicContact OD2-NH1 2.68Å; D565-R598 PolarHBondContact OD2-NH1 3.49Å; D565-R598 IonicContact OD2-NH2 2.84Å; D565-R598 PolarHBondContact OD2-NH2 3.36Å; L594-R598 WeakPolarHBondContact O-CG 3.38Å; L594-R598 PolarHBondContact O-N 2.86Å; N595-R598 PolarHBondContact O-N 3.46Å; R598-I602 HydrophobicContact CB-CD1 4.47Å; R598-I602 HydrophobicContact CG-CD1 4.14Å; R598-I602 WeakPolarHBondContact O-CA 3.36Å; R598-I602 WeakPolarHBondContact O-CB 3.25Å; R598-I602 PolarHBondContact O-N 3.27Å; R598-G603 PolarHBondContact O-N 3.48Å; R598-G603 VanDerWaalsContact O-N 3.14Å
599T76.4Confident67.4Low47 Ų4750.6 Ų50.629%0.28827%0.27SS..Hα-helixtrans-66-39.6178-56.90000111.8N595 Y597 G603 I604N595-T599 WeakPolarHBondContact O-CB 3.31Å; N595-T599 PolarHBondContact O-N 2.7Å; N595-T599 PolarHBondContact O-OG1 3.29Å; N595-T599 VanDerWaalsContact O-OG1 3.06Å; Y597-T599 PolarHBondContact O-N 3.11Å; T599-G603 WeakPolarHBondContact O-CA 3.37Å; T599-G603 PolarHBondContact O-N 3.35Å; T599-I604 WeakPolarHBondContact CA-O 3.48Å; T599-I604 PolarHBondContact OG1-O 3.03Å; T599-I604 VanDerWaalsContact OG1-O 3.11Å
600N75Confident65.3Low66 Ų6656 Ų5635%0.35330%0.304SS..Hα-helixtrans-86.1-28.2-176.6-66.9-47.9000114.6K468 E596 Y597 S644 V645K468-N600 WeakPolarHBondContact O-CB 3.44Å; E596-N600 WeakPolarHBondContact O-CB 3.33Å; E596-N600 PolarHBondContact O-N 3.21Å; E596-N600 VanDerWaalsContact O-N 3.14Å; E596-N600 PolarHBondContact O-ND2 2.71Å; Y597-N600 PolarHBondContact O-N 3.02Å; N600-S644 WeakPolarHBondContact O-CA 3.32Å; N600-V645 PolarHBondContact O-N 2.89Å
601Q69.5Low63Low7 Ų762 Ų623%0.03334%0.342CS..Hα-helixtrans-95.4-37.1-176.1-66.5-76.5-17.800112.4P467 Y597 S644 V645P467-Q601 PolarHBondContact O-NE2 3.08Å; Y597-Q601 HydrophobicContact CD2-CG 3.72Å; Y597-Q601 HydrophobicContact CE1-CB 4.21Å; Y597-Q601 HydrophobicContact CE1-CG 4.35Å; Y597-Q601 HydrophobicContact CE2-CB 4.25Å; Y597-Q601 HydrophobicContact CE2-CG 3.54Å; Y597-Q601 HydrophobicContact CG-CG 4.21Å; Y597-Q601 WeakPolarHBondContact O-CB 3.23Å; Y597-Q601 WeakPolarHBondContact O-CG 3.39Å; Y597-Q601 PolarHBondContact O-N 3.09Å; Q601-S644 WeakPolarHBondContact O-CB 3.16Å; Q601-V645 VanDerWaalsContact OE1-CB 3.3Å
602I63.4Low60.6Low16 Ų1665.3 Ų65.38%0.08236%0.362CS..THydrogen-bonded Turntrans-111-18.3-175.5-52.6152000110.7R598 I604 L635 A638 Y641R598-I602 HydrophobicContact CB-CD1 4.47Å; R598-I602 HydrophobicContact CG-CD1 4.14Å; R598-I602 WeakPolarHBondContact O-CA 3.36Å; R598-I602 WeakPolarHBondContact O-CB 3.25Å; R598-I602 PolarHBondContact O-N 3.27Å; I602-I604 VanDerWaalsContact C-N 3.27Å; I602-I604 HydrophobicContact CB-CD1 4.32Å; I602-I604 HydrophobicContact CB-CG1 4.34Å; I602-I604 HydrophobicContact CG2-CD1 3.48Å; I602-I604 VanDerWaalsContact CG2-CD1 3.48Å; I602-I604 HydrophobicContact CG2-CG1 3.73Å; I602-I604 PolarHBondContact O-N 3.24Å; I602-L635 HydrophobicContact CB-CD2 4.38Å; I602-L635 HydrophobicContact CD1-CD1 4.19Å; I602-L635 HydrophobicContact CD1-CD2 3.46Å; I602-L635 VanDerWaalsContact CD1-CD2 3.46Å; I602-L635 HydrophobicContact CD1-CG 4.45Å; I602-L635 HydrophobicContact CG1-CD2 3.99Å; I602-L635 HydrophobicContact CG2-CD2 3.57Å; I602-A638 HydrophobicContact CG2-CB 4.28Å; I602-Y641 VanDerWaalsContact O-CD2 3.27Å; I602-Y641 WeakPolarHBondContact O-CD2 3.24Å
603G58.8Low58.1Low17 Ų1767.8 Ų67.818%0.17538%0.384CS..  trans79.95.6-178.600000114.4R598 T599 N605R598-G603 PolarHBondContact O-N 3.48Å; R598-G603 VanDerWaalsContact O-N 3.14Å; T599-G603 WeakPolarHBondContact O-CA 3.37Å; T599-G603 PolarHBondContact O-N 3.35Å; G603-N605 PolarHBondContact O-N 2.88Å
604I53.8Low55.9Low49 Ų4969.3 Ų69.325%0.25140%0.395SS..  trans-79.3116.8179-59.3169.7000108.4T599 I602 P606 L635T599-I604 WeakPolarHBondContact CA-O 3.48Å; T599-I604 PolarHBondContact OG1-O 3.03Å; T599-I604 VanDerWaalsContact OG1-O 3.11Å; I602-I604 VanDerWaalsContact C-N 3.27Å; I602-I604 HydrophobicContact CB-CD1 4.32Å; I602-I604 HydrophobicContact CB-CG1 4.34Å; I602-I604 HydrophobicContact CG2-CD1 3.48Å; I602-I604 VanDerWaalsContact CG2-CD1 3.48Å; I602-I604 HydrophobicContact CG2-CG1 3.73Å; I602-I604 PolarHBondContact O-N 3.24Å; I604-P606 VanDerWaalsContact O-CD 3.23Å; I604-P606 WeakPolarHBondContact O-CD 3.35Å; I604-L635 HydrophobicContact CD1-CD2 4.14Å
605N48.5Very low53.2Low74 Ų7474.9 Ų74.940%0.39643%0.432SS..  trans-90.6104.1170.9-148.8-11.8000107.3G603 A607 L608G603-N605 PolarHBondContact O-N 2.88Å; N605-A607 PolarHBondContact O-N 3.34Å; N605-L608 HydrophobicContact CB-CB 4.34Å; N605-L608 HydrophobicContact CB-CD1 4.08Å; N605-L608 PolarHBondContact O-N 2.9Å
606P43.8Very low51Low58 Ų5873.8 Ų73.838%0.37744%0.435SS..THydrogen-bonded Turntrans-60.1-14.8-174.620.1-29.6000113.4I604I604-P606 VanDerWaalsContact O-CD 3.23Å; I604-P606 WeakPolarHBondContact O-CD 3.35Å
607A41.8Very low48.9Very low88 Ų8873.8 Ų73.873%0.72744%0.444SS*.THydrogen-bonded Turntrans-80.5-17.2174.900000115.1N605N605-A607 PolarHBondContact O-N 3.34Å
608L40.8Very low46.5Very low132 Ų13278.2 Ų78.269%0.69148%0.477SS*.THydrogen-bonded Turntrans-113.40.7-170.9-72.4166.3000114.1N605N605-L608 HydrophobicContact CB-CB 4.34Å; N605-L608 HydrophobicContact CB-CD1 4.08Å; N605-L608 PolarHBondContact O-N 2.9Å
609S37.6Very low44.3Very low48 Ų4879.9 Ų79.934%0.33651%0.509SS..  trans-136.183.9-179.5-53.20000110.6T611S609-T611 PolarHBondContact O-N 3.49Å
610P35.4Very low42.1Very low120 Ų12082 Ų8278%0.77953%0.526SS*.THydrogen-bonded Turntrans-73.9-1177.28.35000113.2
611T35.1Very low39.7Very low134 Ų13487.8 Ų87.882%0.82255%0.551SS**THydrogen-bonded Turntrans-90.7-3.4-169.1-3.40000115S609S609-T611 PolarHBondContact O-N 3.49Å
612L31.4Very low37.9Very low121 Ų12193.2 Ų93.263%0.63459%0.587SS**SBendtrans-103.2106.4166-92.4135.8000107.5I614L612-I614 PolarHBondContact O-N 2.97Å
613N29.1Very low36.2Very low159 Ų159101.6 Ų101.685%0.8563%0.626SS**  trans-55.899.1170.9-87.9-14.6000108.8P615N613-P615 WeakPolarHBondContact O-CD 3.43Å
614I34.1Very low34.8Very low89 Ų89108.1 Ų108.146%0.45666%0.662SS.*  trans-88.9108.7167.9-58.9171000106.1L612 G616L612-I614 PolarHBondContact O-N 2.97Å; I614-G616 PolarHBondContact O-N 2.76Å
615P26.4Very low33.5Very low119 Ų119108.3 Ų108.377%0.77368%0.676SS**THydrogen-bonded Turntrans-67.3123.8174.4-1127.1000108.9N613N613-P615 WeakPolarHBondContact O-CD 3.43Å
616G33.7Very low32.5Very low37 Ų37116.4 Ų116.438%0.38170%0.703SS.*THydrogen-bonded Turntrans119.723.8168.400000117.6R569 I614R569-G616 PolarHBondContact NH2-O 2.85Å; I614-G616 PolarHBondContact O-N 2.76Å
617S34.6Very low31.7Very low88 Ų88120 Ų12062%0.61572%0.723SS**  trans-67.7132.2163-150.80000109.7G619S617-G619 PolarHBondContact O-N 3.32Å
618P29.6Very low31.1Very low125 Ų125122.8 Ų122.881%0.81273%0.726SS**THydrogen-bonded Turntrans-72.193.2-177.127.9-30.3000109.3
619G32.2Very low30.6Very low84 Ų84122.1 Ų122.187%0.86673%0.732SS**THydrogen-bonded Turntrans160.6-5.3176.700000118.1S617S617-G619 PolarHBondContact O-N 3.32Å
620S28.6Very low30.5Very low92 Ų92126.7 Ų126.764%0.64375%0.753SS**  trans-122.8115.5177.554.90000111.1
621E26.2Very low30.3Very low187 Ų187126.2 Ų126.287%0.87475%0.752SS**  trans-55.2138.7167.7-66.5-179.7157.900110.1E623E621-E623 PolarHBondContact O-N 3.5Å
622P31.5Very low30.4Very low121 Ų121121.7 Ų121.779%0.78672%0.723SS**  trans-80.6108.9178.231.7-28.2000108.8V624P622-V624 PolarHBondContact O-N 3Å
623E27.9Very low30.7Very low192 Ų192118.2 Ų118.290%0.89772%0.716SS**  trans-62.6131.9159.8-80.3-157.1160.400109.2E621 G625E621-E623 PolarHBondContact O-N 3.5Å; E623-G625 PolarHBondContact O-N 2.98Å
624V27.9Very low31.2Very low153 Ų153112.9 Ų112.993%0.92769%0.69SS**  trans-67.197.4-174.6-176.60000109.5P622P622-V624 PolarHBondContact O-N 3Å
625G28.1Very low31.5Very low53 Ų53110.5 Ų110.555%0.54668%0.678SS.*  trans-140.5123.8170.700000109.7E623 V627E623-G625 PolarHBondContact O-N 2.98Å; G625-V627 PolarHBondContact O-N 3.37Å; G625-V627 VanDerWaalsContact O-N 3.09Å
626Y27.6Very low32.3Very low245 Ų245105.9 Ų105.996%0.96165%0.65SS**  trans-52.9111.8176.4-82.8-101.2000110.6
627V27.2Very low32.5Very low133 Ų133108.1 Ų108.181%0.80666%0.66SS**  trans-123.8122.3168.8-177.80000107G625 S629G625-V627 PolarHBondContact O-N 3.37Å; G625-V627 VanDerWaalsContact O-N 3.09Å; V627-S629 PolarHBondContact O-N 2.92Å
628D28.6Very low32.8Very low147 Ų147105.6 Ų105.679%0.78664%0.644SS**  trans-51.8117.7178.4-92.8-36000110.9N630D628-N630 PolarHBondContact O-N 2.78Å
629S30.6Very low33.7Very low117 Ų117104.2 Ų104.282%0.81864%0.638SS**THydrogen-bonded Turntrans-74.28-172.753.50000114.9V627V627-S629 PolarHBondContact O-N 2.92Å
630N33.7Very low34.8Very low144 Ų144103.3 Ų103.377%0.7761%0.612SS**THydrogen-bonded Turntrans-121.42.4-167.4-80-10.2000116.2D628 L632D628-N630 PolarHBondContact O-N 2.78Å; N630-L632 PolarHBondContact O-N 2.67Å
631S31.6Very low36.3Very low110 Ų110104.4 Ų104.477%0.76960%0.603SS**  trans-87.8103.5-178.9-86.50000112.9G633S631-G633 PolarHBondContact O-N 3.3Å
632L38.5Very low38.1Very low39 Ų39103 Ų10320%0.20460%0.596CS.*  trans-62.4109.1152.9-103.7129.2000107.7N630 M662N630-L632 PolarHBondContact O-N 2.67Å; L632-M662 HydrophobicContact CD1-CE 3.25Å; L632-M662 HydrophobicContact CG-CE 4.22Å
633G37.9Very low39.7Very low48 Ų48103.3 Ų103.350%0.49559%0.592SS.*  trans-62.6130155.900000107.6S631 L635S631-G633 PolarHBondContact O-N 3.3Å; G633-L635 PolarHBondContact O-N 3.39Å
634P39.4Very low41.9Very low48 Ų4894.2 Ų94.231%0.31255%0.55SS..  trans-71.6109.8-159.6-4.717.7000110.4A636 S637 A638P634-A636 PolarHBondContact O-N 3.16Å; P634-S637 WeakPolarHBondContact CB-OG 3.5Å; P634-S637 WeakPolarHBondContact CG-OG 3.47Å; P634-S637 PolarHBondContact O-N 2.69Å; P634-S637 PolarHBondContact O-OG 3.29Å; P634-A638 PolarHBondContact O-N 2.9Å
635L40.5Very low44.4Very low38 Ų3887 Ų8720%0.19951%0.505CS..THydrogen-bonded Turntrans-62-22.6164.4-80.8166.6000111.1I602 I604 G633 S637I602-L635 HydrophobicContact CB-CD2 4.38Å; I602-L635 HydrophobicContact CD1-CD1 4.19Å; I602-L635 HydrophobicContact CD1-CD2 3.46Å; I602-L635 VanDerWaalsContact CD1-CD2 3.46Å; I602-L635 HydrophobicContact CD1-CG 4.45Å; I602-L635 HydrophobicContact CG1-CD2 3.99Å; I602-L635 HydrophobicContact CG2-CD2 3.57Å; I604-L635 HydrophobicContact CD1-CD2 4.14Å; G633-L635 PolarHBondContact O-N 3.39Å; L635-S637 VanDerWaalsContact C-N 3.26Å; L635-S637 PolarHBondContact O-N 3.27Å
636A41.9Very low46.7Very low23 Ų2385.2 Ų85.219%0.1948%0.482CS..THydrogen-bonded Turntrans-71.2-14.7171.500000114A530 P634A530-A636 HydrophobicContact CB-CB 4.46Å; P634-A636 PolarHBondContact O-N 3.16Å
637S37.6Very low49Very low84 Ų8474.2 Ų74.259%0.58744%0.442SS*.THydrogen-bonded Turntrans-107.8-5.3177.673.20000114.1P634 L635 S639P634-S637 WeakPolarHBondContact CB-OG 3.5Å; P634-S637 WeakPolarHBondContact CG-OG 3.47Å; P634-S637 PolarHBondContact O-N 2.69Å; P634-S637 PolarHBondContact O-OG 3.29Å; L635-S637 VanDerWaalsContact C-N 3.26Å; L635-S637 PolarHBondContact O-N 3.27Å; S637-S639 PolarHBondContact O-N 2.99Å
638A42.6Very low51.7Low34 Ų3468.4 Ų68.428%0.28141%0.406SS..SBendtrans-66.3126.3174.700000109.7I602 P634 I640I602-A638 HydrophobicContact CG2-CB 4.28Å; P634-A638 PolarHBondContact O-N 2.9Å; A638-I640 PolarHBondContact O-N 3.46Å; A638-I640 VanDerWaalsContact O-N 3.09Å
639S46.8Very low54.3Low97 Ų9761.4 Ų61.468%0.67837%0.368SS*.  trans-46.4120.3175.3-66.80000110.2S637 Y641S637-S639 PolarHBondContact O-N 2.99Å; S639-Y641 WeakPolarHBondContact O-CD2 3.41Å; S639-Y641 PolarHBondContact O-N 3.48Å
640I56Low56.6Low64 Ų6457 Ų5733%0.32834%0.336SS..  trans-60.4105.5177.2-63.8155.5000107.3A638 E642 R646 A647 D650A638-I640 PolarHBondContact O-N 3.46Å; A638-I640 VanDerWaalsContact O-N 3.09Å; I640-E642 PolarHBondContact O-N 3.38Å; I640-R646 HydrophobicContact CG1-CG 4.49Å; I640-A647 HydrophobicContact CG2-CB 3.56Å; I640-D650 WeakPolarHBondContact CD1-OD2 3.26Å
641Y59.3Low58.9Low115 Ų11554.3 Ų54.345%0.45133%0.328SS..  trans-68.9133.2175.5-76.2-92.8000109I602 S639 N643 S644 A647I602-Y641 VanDerWaalsContact O-CD2 3.27Å; I602-Y641 WeakPolarHBondContact O-CD2 3.24Å; S639-Y641 WeakPolarHBondContact O-CD2 3.41Å; S639-Y641 PolarHBondContact O-N 3.48Å; Y641-N643 PolarHBondContact O-N 2.79Å; Y641-S644 WeakPolarHBondContact O-CB 3.36Å; Y641-S644 PolarHBondContact O-N 3.37Å; Y641-S644 PolarHBondContact O-OG 3.15Å; Y641-A647 WeakPolarHBondContact O-CB 3.37Å
642E64.1Low61.3Low157 Ų15754.3 Ų54.373%0.73431%0.314SS*.THydrogen-bonded Turntrans-53.2-26.3-174.4-68.4-177.3168.700114.3K470 I640K470-E642 VanDerWaalsContact CD-O 3.24Å; K470-E642 WeakPolarHBondContact CD-O 3.23Å; K470-E642 WeakPolarHBondContact CE-O 3.35Å; K470-E642 PolarHBondContact NZ-O 3.01Å; I640-E642 PolarHBondContact O-N 3.38Å
643N65.6Low63.3Low129 Ų12955 Ų5569%0.6933%0.33SS*.THydrogen-bonded Turntrans-96.27.3-177.9-71.5-27.9000114.7K470 Y641K470-N643 WeakPolarHBondContact CB-O 3.46Å; Y641-N643 PolarHBondContact O-N 2.79Å
644S74.6Confident65.4Low1 Ų153.2 Ų53.21%0.00731%0.309CS..SBendtrans-80.1156.9177.764.60000112.7N600 Q601 Y641 R646 A647 Y648N600-S644 WeakPolarHBondContact O-CA 3.32Å; Q601-S644 WeakPolarHBondContact O-CB 3.16Å; Y641-S644 WeakPolarHBondContact O-CB 3.36Å; Y641-S644 PolarHBondContact O-N 3.37Å; Y641-S644 PolarHBondContact O-OG 3.15Å; S644-R646 PolarHBondContact O-N 3.47Å; S644-A647 WeakPolarHBondContact O-CB 3.46Å; S644-A647 PolarHBondContact O-N 3.23Å; S644-A647 WeakPolarHBondContact OG-CB 3.38Å; S644-A647 PolarHBondContact OG-N 3.39Å; S644-Y648 PolarHBondContact O-N 2.9Å
645V79.8Confident67.4Low0 Ų052.3 Ų52.30%030%0.302CS..Hα-helixtrans-63.4-33.9169.1173.60000110.9L356 P467 S469 N600 Q601 A647 Y648 F649L356-V645 HydrophobicContact CD1-CG1 3.93Å; P467-V645 HydrophobicContact CG-CG1 4.23Å; S469-V645 VanDerWaalsContact C-CG2 3.42Å; S469-V645 VanDerWaalsContact CA-CG2 3.49Å; N600-V645 PolarHBondContact O-N 2.89Å; Q601-V645 VanDerWaalsContact OE1-CB 3.3Å; V645-A647 PolarHBondContact O-N 3.19Å; V645-Y648 WeakPolarHBondContact O-CB 3.28Å; V645-Y648 PolarHBondContact O-N 3.35Å; V645-Y648 VanDerWaalsContact O-N 3.11Å; V645-F649 HydrophobicContact CG1-CD2 3.75Å; V645-F649 HydrophobicContact CG1-CE2 3.43Å; V645-F649 VanDerWaalsContact CG1-CE2 3.43Å; V645-F649 WeakPolarHBondContact O-CD2 3.47Å; V645-F649 PolarHBondContact O-N 3.08Å
646R76.7Confident69.3Low16 Ų1650.8 Ų50.86%0.0629%0.294CS..Hα-helixtrans-58.4-46.3173.7-172160-171.1156.7-5.1111.9N516 E560 I640 S644 Y648 F649 D650 Q656N516-R646 PolarHBondContact OD1-NH2 3.1Å; E560-R646 IonicContact OE2-CZ 3.94Å; E560-R646 IonicContact OE2-NH1 3.03Å; E560-R646 PolarHBondContact OE2-NH1 3.44Å; I640-R646 HydrophobicContact CG1-CG 4.49Å; S644-R646 PolarHBondContact O-N 3.47Å; R646-Y648 PolarHBondContact O-N 3.02Å; R646-F649 PolarHBondContact O-N 3.35Å; R646-D650 WeakPolarHBondContact O-CB 3.37Å; R646-D650 VanDerWaalsContact O-CG 3.26Å; R646-D650 PolarHBondContact O-N 3.26Å; R646-Q656 PolarHBondContact O-NE2 2.94Å
647A76.4Confident71.2Confident14 Ų1449.8 Ų49.812%0.11629%0.285CS..Hα-helixtrans-59.6-33.3175.100000113.3I640 Y641 S644 V645 S651I640-A647 HydrophobicContact CG2-CB 3.56Å; Y641-A647 WeakPolarHBondContact O-CB 3.37Å; S644-A647 WeakPolarHBondContact O-CB 3.46Å; S644-A647 PolarHBondContact O-N 3.23Å; S644-A647 WeakPolarHBondContact OG-CB 3.38Å; S644-A647 PolarHBondContact OG-N 3.39Å; V645-A647 PolarHBondContact O-N 3.19Å; A647-S651 WeakPolarHBondContact O-CB 3.36Å; A647-S651 PolarHBondContact O-N 2.63Å; A647-S651 PolarHBondContact O-OG 2.95Å
648Y82.6Confident73.1Confident12 Ų1246.3 Ų46.35%0.04726%0.26CS..Hα-helixtrans-66.5-52177.2179.5-93.7000111.6K470 A473 A474 F477 S644 V645 R646 D650 S651 K652K470-Y648 HydrophobicContact CG-CD2 4.46Å; A473-Y648 HydrophobicContact CB-CD1 3.43Å; A473-Y648 VanDerWaalsContact CB-CD1 3.43Å; A473-Y648 HydrophobicContact CB-CD2 4.18Å; A473-Y648 HydrophobicContact CB-CE1 3.77Å; A473-Y648 HydrophobicContact CB-CE2 4.46Å; A473-Y648 HydrophobicContact CB-CG 3.66Å; A473-Y648 PolarHBondContact O-OH 3.14Å; A474-Y648 VanDerWaalsContact CA-CE2 3.45Å; A474-Y648 HydrophobicContact CB-CD2 4.3Å; A474-Y648 HydrophobicContact CB-CE2 3.82Å; F477-Y648 WeakPolarHBondContact CB-OH 3.24Å; F477-Y648 AromaticContact CD2-CE1 3.94Å; F477-Y648 HydrophobicContact CD2-CE1 3.94Å; S644-Y648 PolarHBondContact O-N 2.9Å; V645-Y648 WeakPolarHBondContact O-CB 3.28Å; V645-Y648 PolarHBondContact O-N 3.35Å; V645-Y648 VanDerWaalsContact O-N 3.11Å; R646-Y648 PolarHBondContact O-N 3.02Å; Y648-D650 VanDerWaalsContact C-N 3.32Å; Y648-D650 PolarHBondContact O-N 3.33Å; Y648-S651 PolarHBondContact O-N 3.22Å; Y648-S651 PolarHBondContact O-OG 3.1Å; Y648-K652 HydrophobicContact CE1-CG 4.19Å; Y648-K652 PolarHBondContact O-N 3.42Å
649F83.5Confident74.9Confident0 Ų044.8 Ų44.80%025%0.248CC..Hα-helixtrans-65.2-36.8-180-71.7-61.2000111.8L356 P467 F477 P555 V558 V645 R646 S651 K652 G653 I654 Q656L356-F649 HydrophobicContact CD1-CE2 4.01Å; P467-F649 HydrophobicContact CG-CE2 4.31Å; P467-F649 HydrophobicContact CG-CZ 4.1Å; F477-F649 AromaticContact CE2-CE1 3.92Å; F477-F649 HydrophobicContact CE2-CE1 3.92Å; F477-F649 HydrophobicContact CE2-CZ 4.04Å; P555-F649 HydrophobicContact CG-CD1 4.46Å; P555-F649 HydrophobicContact CG-CE1 3.81Å; V558-F649 HydrophobicContact CG1-CD2 4.44Å; V558-F649 HydrophobicContact CG1-CE2 4.44Å; V558-F649 HydrophobicContact CG2-CD1 3.87Å; V558-F649 HydrophobicContact CG2-CD2 3.98Å; V558-F649 HydrophobicContact CG2-CE1 4.01Å; V558-F649 HydrophobicContact CG2-CE2 4.1Å; V558-F649 HydrophobicContact CG2-CG 3.87Å; V558-F649 HydrophobicContact CG2-CZ 4.12Å; V645-F649 HydrophobicContact CG1-CD2 3.75Å; V645-F649 HydrophobicContact CG1-CE2 3.43Å; V645-F649 VanDerWaalsContact CG1-CE2 3.43Å; V645-F649 WeakPolarHBondContact O-CD2 3.47Å; V645-F649 PolarHBondContact O-N 3.08Å; R646-F649 PolarHBondContact O-N 3.35Å; F649-S651 PolarHBondContact O-N 3.22Å; F649-K652 CarbonylContact O-C 3.58Å; F649-K652 PolarHBondContact O-N 2.8Å; F649-K652 VanDerWaalsContact O-N 3.13Å; F649-G653 PolarHBondContact O-N 2.82Å; F649-I654 HydrophobicContact CB-CB 4.21Å; F649-I654 HydrophobicContact CD1-CB 4.26Å; F649-I654 HydrophobicContact CD1-CD1 3.64Å; F649-I654 HydrophobicContact CD1-CG2 4.25Å; F649-I654 HydrophobicContact CE1-CD1 4.25Å; F649-I654 PolarHBondContact O-N 2.87Å; F649-Q656 HydrophobicContact CB-CG 4.07Å
650D79.5Confident76.4Confident25 Ų2540.8 Ų40.813%0.13422%0.219CC..Hα-helixtrans-61.3-43.4173-70.1-28.5000111.6A515 I640 R646 Y648 K652 G653 Q656A515-D650 WeakPolarHBondContact CB-OD1 3.29Å; I640-D650 WeakPolarHBondContact CD1-OD2 3.26Å; R646-D650 WeakPolarHBondContact O-CB 3.37Å; R646-D650 VanDerWaalsContact O-CG 3.26Å; R646-D650 PolarHBondContact O-N 3.26Å; Y648-D650 VanDerWaalsContact C-N 3.32Å; Y648-D650 PolarHBondContact O-N 3.33Å; D650-K652 PolarHBondContact O-N 2.98Å; D650-G653 PolarHBondContact O-N 3.39Å; D650-Q656 PolarHBondContact OD1-NE2 2.96Å; D650-Q656 PolarHBondContact OD2-NE2 2.84Å
651S81.6Confident77.5Confident86 Ų8637.8 Ų37.860%0.60120%0.203SC*.Hα-helixtrans-65.3-18.217775.10000114.1A647 Y648 F649A647-S651 WeakPolarHBondContact O-CB 3.36Å; A647-S651 PolarHBondContact O-N 2.63Å; A647-S651 PolarHBondContact O-OG 2.95Å; Y648-S651 PolarHBondContact O-N 3.22Å; Y648-S651 PolarHBondContact O-OG 3.1Å; F649-S651 PolarHBondContact O-N 3.22Å
652K82.8Confident78.2Confident111 Ų11135.1 Ų35.148%0.48320%0.196SC..THydrogen-bonded Turntrans-99.83.4176.2-66.8-60.9-173.9-1790112.9L554 Y648 F649 D650 I654L554-K652 HydrophobicContact CD1-CB 4.42Å; Y648-K652 HydrophobicContact CE1-CG 4.19Å; Y648-K652 PolarHBondContact O-N 3.42Å; F649-K652 CarbonylContact O-C 3.58Å; F649-K652 PolarHBondContact O-N 2.8Å; F649-K652 VanDerWaalsContact O-N 3.13Å; D650-K652 PolarHBondContact O-N 2.98Å; K652-I654 VanDerWaalsContact C-N 3.29Å; K652-I654 HydrophobicContact CB-CD1 3.88Å; K652-I654 HydrophobicContact CB-CG1 4.25Å; K652-I654 PolarHBondContact O-N 2.83Å
653G80Confident78.5Confident53 Ų5330 Ų3055%0.54618%0.175SC..THydrogen-bonded Turntrans70.221.5179.900000114.3F649 D650F649-G653 PolarHBondContact O-N 2.82Å; D650-G653 PolarHBondContact O-N 3.39Å
654I82.4Confident78.8Confident10 Ų1024.3 Ų24.35%0.05115%0.145CC..  trans-87.6131.5-177-66.4162.1000109.8L554 P555 V558 F649 K652 Q656L554-I654 HydrophobicContact CB-CD1 3.98Å; L554-I654 HydrophobicContact CD1-CD1 4.26Å; L554-I654 HydrophobicContact CD2-CD1 3.82Å; L554-I654 HydrophobicContact CG-CD1 4.22Å; P555-I654 HydrophobicContact CG-CD1 4.33Å; P555-I654 WeakPolarHBondContact O-CG2 3.35Å; V558-I654 HydrophobicContact CG2-CG2 3.71Å; F649-I654 HydrophobicContact CB-CB 4.21Å; F649-I654 HydrophobicContact CD1-CB 4.26Å; F649-I654 HydrophobicContact CD1-CD1 3.64Å; F649-I654 HydrophobicContact CD1-CG2 4.25Å; F649-I654 HydrophobicContact CE1-CD1 4.25Å; F649-I654 PolarHBondContact O-N 2.87Å; K652-I654 VanDerWaalsContact C-N 3.29Å; K652-I654 HydrophobicContact CB-CD1 3.88Å; K652-I654 HydrophobicContact CB-CG1 4.25Å; K652-I654 PolarHBondContact O-N 2.83Å; I654-Q656 PolarHBondContact O-N 3.44Å
655I80.3Confident78.3Confident30 Ų3033.4 Ų33.415%0.15419%0.187CC..EExtended strand (participates in β ladder)trans-72.6124.4-178.1-59.3170.7000109.7F519 Y523 Y557 V558 I657F519-I655 HydrophobicContact CD2-CG2 3.97Å; Y523-I655 HydrophobicContact CE2-CD1 4.35Å; Y557-I655 HydrophobicContact CD1-CB 4.13Å; Y557-I655 HydrophobicContact CD1-CG2 4.4Å; Y557-I655 HydrophobicContact CE1-CD1 4.11Å; V558-I655 PolarHBondContact N-O 3.4Å; I655-I657 HydrophobicContact CG2-CD1 4.31Å; I655-I657 HydrophobicContact CG2-CG1 3.92Å
656Q81.2Confident77.9Confident6 Ų635 Ų353%0.02820%0.198CC..EExtended strand (participates in β ladder)trans-109.6118.3178.4-56.1-173.871.100109.8V558 R646 F649 D650 I654 P658V558-Q656 HydrophobicContact CB-CG 4.15Å; V558-Q656 CarbonylContact O-C 3.54Å; V558-Q656 WeakPolarHBondContact O-CA 3.43Å; R646-Q656 PolarHBondContact O-NE2 2.94Å; F649-Q656 HydrophobicContact CB-CG 4.07Å; D650-Q656 PolarHBondContact OD1-NE2 2.96Å; D650-Q656 PolarHBondContact OD2-NE2 2.84Å; I654-Q656 PolarHBondContact O-N 3.44Å; Q656-P658 WeakPolarHBondContact O-CD 3.25Å
657I82Confident77.6Confident1 Ų140.8 Ų40.81%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-109.5109.7-171.8-58.5174.5000108.7F519 L540 Y557 V558 F559 E560 I655 V659 F679F519-I657 HydrophobicContact CE2-CG1 4.02Å; L540-I657 HydrophobicContact CD1-CG2 4.47Å; Y557-I657 HydrophobicContact CD1-CD1 4.13Å; V558-I657 PolarHBondContact O-N 3.08Å; F559-I657 HydrophobicContact CD1-CB 3.91Å; F559-I657 HydrophobicContact CD1-CD1 4.29Å; F559-I657 HydrophobicContact CD1-CG2 4.25Å; F559-I657 HydrophobicContact CE1-CB 4.19Å; F559-I657 HydrophobicContact CE1-CD1 3.7Å; F559-I657 HydrophobicContact CE1-CG1 4.47Å; F559-I657 HydrophobicContact CE1-CG2 4.42Å; E560-I657 PolarHBondContact N-O 2.9Å; I655-I657 HydrophobicContact CG2-CD1 4.31Å; I655-I657 HydrophobicContact CG2-CG1 3.92Å; I657-V659 HydrophobicContact CG2-CG2 4.22Å; I657-F679 HydrophobicContact CD1-CD1 3.9Å; I657-F679 HydrophobicContact CD1-CE1 3.15Å; I657-F679 HydrophobicContact CD1-CE2 4.25Å; I657-F679 HydrophobicContact CD1-CZ 3.34Å
658P78Confident77.3Confident11 Ų1145 Ų457%0.07124%0.243CC..EExtended strand (participates in β ladder)trans-72130.5173.930-33.1000110.2E560 Q562 Q656E560-P658 CarbonylContact O-C 3.57Å; E560-P658 WeakPolarHBondContact O-CA 3.46Å; Q562-P658 HydrophobicContact CG-CB 4.46Å; Q656-P658 WeakPolarHBondContact O-CD 3.25Å
659V80.4Confident77.2Confident3 Ų344.4 Ų44.42%0.01824%0.241CC..EExtended strand (participates in β ladder)trans-125.6111.2-176.71770000109.1T534 F559 E560 L561 Q562 I657 I661 T672 L676T534-V659 HydrophobicContact CG2-CG1 4.42Å; F559-V659 HydrophobicContact CD1-CG2 4.26Å; E560-V659 PolarHBondContact O-N 3.3Å; L561-V659 HydrophobicContact CD2-CB 4.04Å; L561-V659 HydrophobicContact CD2-CG1 3.93Å; Q562-V659 PolarHBondContact N-O 3.2Å; I657-V659 HydrophobicContact CG2-CG2 4.22Å; V659-I661 PolarHBondContact O-N 2.91Å; V659-T672 HydrophobicContact CG1-CG2 3.48Å; V659-T672 VanDerWaalsContact CG1-CG2 3.48Å; V659-L676 HydrophobicContact CG2-CD2 4.2Å
660N77Confident77.1Confident13 Ų1348.7 Ų48.77%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-78.5118.1178.4-172.8-2000111.4D532 M662 T663D532-N660 WeakPolarHBondContact OD1-CB 3.35Å; D532-N660 VanDerWaalsContact OD2-CB 3.23Å; D532-N660 WeakPolarHBondContact OD2-CB 3.34Å; D532-N660 PolarHBondContact OD2-ND2 3.45Å; N660-M662 WeakPolarHBondContact OD1-CB 3.17Å; N660-M662 WeakPolarHBondContact OD1-CE 3.4Å; N660-M662 WeakPolarHBondContact OD1-CG 3.39Å; N660-M662 PolarHBondContact OD1-N 2.94Å; N660-T663 PolarHBondContact O-OG1 3.45Å
661I80.3Confident77.2Confident0 Ų051.8 Ų51.80%027%0.274CS..G310 helixtrans-84.9-18.5-178.7-62.1158.5000112.4S361 L561 Q562 F567 V659 T663 D664 L669S361-I661 WeakPolarHBondContact O-CD1 3.45Å; L561-I661 HydrophobicContact CB-CD1 3.53Å; L561-I661 HydrophobicContact CB-CG1 4.29Å; L561-I661 HydrophobicContact CD1-CD1 4.04Å; L561-I661 HydrophobicContact CD2-CD1 3.91Å; L561-I661 HydrophobicContact CD2-CG1 3.86Å; L561-I661 HydrophobicContact CG-CD1 4.01Å; L561-I661 HydrophobicContact CG-CG1 4.5Å; Q562-I661 PolarHBondContact O-N 3.49Å; F567-I661 HydrophobicContact CE1-CG2 4.06Å; F567-I661 HydrophobicContact CZ-CG2 4.2Å; V659-I661 PolarHBondContact O-N 2.91Å; I661-T663 PolarHBondContact O-N 2.93Å; I661-D664 PolarHBondContact O-N 2.84Å; I661-L669 HydrophobicContact CG2-CD2 3.53Å
662M73.2Confident77.2Confident60 Ų6047.8 Ų47.830%0.29625%0.246SC..G310 helixtrans-66.5-11-172.7-57.6-173.2-5900113.4T564 F567 L632 N660T564-M662 HydrophobicContact CG2-CE 4.01Å; T564-M662 HydrophobicContact CG2-SD 3.44Å; T564-M662 WeakPolarHBondContact CG2-SD 3.25Å; T564-M662 PolarHBondContact OG1-SD 3.17Å; F567-M662 HydrophobicContact CB-CG 4.41Å; F567-M662 HydrophobicContact CB-SD 4.42Å; F567-M662 HydrophobicContact CD1-CG 4.45Å; F567-M662 HydrophobicContact CD2-CG 4.23Å; F567-M662 HydrophobicContact CG-CG 4.12Å; L632-M662 HydrophobicContact CD1-CE 3.25Å; L632-M662 HydrophobicContact CG-CE 4.22Å; N660-M662 WeakPolarHBondContact OD1-CB 3.17Å; N660-M662 WeakPolarHBondContact OD1-CE 3.4Å; N660-M662 WeakPolarHBondContact OD1-CG 3.39Å; N660-M662 PolarHBondContact OD1-N 2.94Å
663T70.8Confident77.4Confident50 Ų5044.2 Ų44.231%0.30723%0.231SC..G310 helixtrans-86.7-12.4176.359.20000113.6N660 I661 Q671N660-T663 PolarHBondContact O-OG1 3.45Å; I661-T663 PolarHBondContact O-N 2.93Å; T663-Q671 PolarHBondContact O-OE1 2.92Å
664D71.3Confident77.5Confident9 Ų947.8 Ų47.85%0.04823%0.232CC..  trans-99110.7-175.9-151.8-32.3000110.8I661 S666 L669 E670 Q671 T672I661-D664 PolarHBondContact O-N 2.84Å; D664-S666 VanDerWaalsContact C-N 3.3Å; D664-S666 WeakPolarHBondContact OD1-CB 3.43Å; D664-S666 PolarHBondContact OD1-N 3.35Å; D664-L669 HydrophobicContact CB-CD2 4.04Å; D664-L669 WeakPolarHBondContact OD2-CA 3.03Å; D664-E670 PolarHBondContact OD2-N 3.01Å; D664-Q671 WeakPolarHBondContact OD2-CA 3.41Å; D664-Q671 WeakPolarHBondContact OD2-CB 3.48Å; D664-Q671 PolarHBondContact OD2-N 2.73Å; D664-T672 PolarHBondContact OD2-N 2.72Å; D664-T672 PolarHBondContact OD2-OG1 2.83Å
665E64.7Low77.3Confident192 Ų19249 Ų4990%0.89724%0.236SC*.  trans-77.3-16.1179.5-63.6-178.9171.800112.7
666S70.7Confident77.5Confident33 Ų3347.7 Ų47.723%0.23123%0.23CC..SBendtrans-79.3133.7-178.5179.40000111.2D664 E668 L669D664-S666 VanDerWaalsContact C-N 3.3Å; D664-S666 WeakPolarHBondContact OD1-CB 3.43Å; D664-S666 PolarHBondContact OD1-N 3.35Å; S666-E668 PolarHBondContact O-N 2.84Å; S666-E668 WeakPolarHBondContact OG-CB 3.29Å; S666-E668 PolarHBondContact OG-N 3.26Å; S666-L669 PolarHBondContact O-N 2.74Å; S666-L669 VanDerWaalsContact O-N 3.16Å
667E71Confident77.6Confident138 Ų13848.4 Ų48.465%0.64524%0.235SC*.THydrogen-bonded Turntrans-52.9-26.4169.1-75.2-162.8-171.100112.1R571 K579R571-E667 PolarHBondContact NH2-O 3.14Å; R571-E667 VanDerWaalsContact NH2-O 3.15Å; K579-E667 IonicContact NZ-OE2 3.58Å; K579-E667 PolarHBondContact NZ-OE2 2.93Å
668E70.9Confident77.5Confident102 Ų10253.8 Ų53.848%0.47726%0.256SS..THydrogen-bonded Turntrans-98.91.5-169.5-105.4-170.7-136.900114.1K369 S666 E670K369-E668 WeakPolarHBondContact CE-O 3.31Å; K369-E668 VanDerWaalsContact CE-OE2 3.26Å; K369-E668 WeakPolarHBondContact CE-OE2 3.35Å; K369-E668 VanDerWaalsContact NZ-CB 3.26Å; K369-E668 PolarHBondContact NZ-O 3.42Å; K369-E668 IonicContact NZ-OE2 2.66Å; K369-E668 PolarHBondContact NZ-OE2 3.02Å; S666-E668 PolarHBondContact O-N 2.84Å; S666-E668 WeakPolarHBondContact OG-CB 3.29Å; S666-E668 PolarHBondContact OG-N 3.26Å; E668-E670 PolarHBondContact O-N 3.05Å
669L80.4Confident77.7Confident0 Ų053.2 Ų53.20%025%0.252CS..  trans54.744175.4-58.9177.3000114.4L366 I661 D664 S666 Q671 F673L366-L669 HydrophobicContact CB-CD1 4.22Å; I661-L669 HydrophobicContact CG2-CD2 3.53Å; D664-L669 HydrophobicContact CB-CD2 4.04Å; D664-L669 WeakPolarHBondContact OD2-CA 3.03Å; S666-L669 PolarHBondContact O-N 2.74Å; S666-L669 VanDerWaalsContact O-N 3.16Å; L669-Q671 PolarHBondContact O-N 2.94Å; L669-F673 VanDerWaalsContact O-CB 3.25Å; L669-F673 WeakPolarHBondContact O-CB 3.26Å; L669-F673 PolarHBondContact O-N 3.45Å
670E81Confident77.8Confident89 Ų8953.2 Ų53.242%0.41625%0.252SS..Hα-helixtrans-63.9-38.9-175.2-75.6-174.8-151.500114.1D664 E668 F673 K674D664-E670 PolarHBondContact OD2-N 3.01Å; E668-E670 PolarHBondContact O-N 3.05Å; E670-F673 PolarHBondContact O-N 3.21Å; E670-K674 WeakPolarHBondContact O-CG 3.42Å; E670-K674 PolarHBondContact O-N 3.42Å
671Q80.7Confident78Confident90 Ų9053 Ų5342%0.42125%0.253SS..Hα-helixtrans-71.3-44.3-178.7-59.1-173.67.600110T663 D664 L669 F673 K674 K675T663-Q671 PolarHBondContact O-OE1 2.92Å; D664-Q671 WeakPolarHBondContact OD2-CA 3.41Å; D664-Q671 WeakPolarHBondContact OD2-CB 3.48Å; D664-Q671 PolarHBondContact OD2-N 2.73Å; L669-Q671 PolarHBondContact O-N 2.94Å; Q671-F673 VanDerWaalsContact C-N 3.32Å; Q671-F673 PolarHBondContact O-N 3.31Å; Q671-K674 PolarHBondContact O-N 2.93Å; Q671-K675 VanDerWaalsContact O-CG 3.25Å; Q671-K675 WeakPolarHBondContact O-CG 3.32Å; Q671-K675 PolarHBondContact O-N 2.94Å; Q671-K675 VanDerWaalsContact O-N 3.1Å
672T82.6Confident78.1Confident2 Ų256.8 Ų56.81%0.01228%0.277CS..Hα-helixtrans-58.1-46.8173.3-59.10000110.7L366 V659 D664 K674 K675 L676L366-T672 HydrophobicContact CD1-CG2 4.33Å; L366-T672 HydrophobicContact CD2-CG2 4.06Å; V659-T672 HydrophobicContact CG1-CG2 3.48Å; V659-T672 VanDerWaalsContact CG1-CG2 3.48Å; D664-T672 PolarHBondContact OD2-N 2.72Å; D664-T672 PolarHBondContact OD2-OG1 2.83Å; T672-K674 PolarHBondContact O-N 3.47Å; T672-K675 PolarHBondContact O-N 3.47Å; T672-L676 HydrophobicContact CG2-CD1 4.4Å; T672-L676 HydrophobicContact CG2-CG 4.45Å; T672-L676 WeakPolarHBondContact O-CG 3.2Å; T672-L676 PolarHBondContact O-N 3.01Å
673F85.7Confident78.5Confident37 Ų3756.8 Ų56.816%0.16228%0.282CS..Hα-helixtrans-56.9-49.8177.6174.1-98.1000112.4L366 K369 L370 Y373 L669 E670 Q671 K675 L676 V677L366-F673 HydrophobicContact CD1-CB 4.15Å; K369-F673 HydrophobicContact CB-CD2 3.9Å; K369-F673 HydrophobicContact CB-CE2 3.96Å; L370-F673 HydrophobicContact CD2-CD2 3.84Å; L370-F673 HydrophobicContact CD2-CE2 3.76Å; L370-F673 HydrophobicContact CG-CD2 4.14Å; L370-F673 HydrophobicContact CG-CE2 4.2Å; Y373-F673 HydrophobicContact CD1-CZ 4.46Å; Y373-F673 HydrophobicContact CD2-CZ 4.03Å; Y373-F673 AromaticContact CG-CZ 3.84Å; Y373-F673 HydrophobicContact CG-CZ 3.84Å; L669-F673 VanDerWaalsContact O-CB 3.25Å; L669-F673 WeakPolarHBondContact O-CB 3.26Å; L669-F673 PolarHBondContact O-N 3.45Å; E670-F673 PolarHBondContact O-N 3.21Å; Q671-F673 VanDerWaalsContact C-N 3.32Å; Q671-F673 PolarHBondContact O-N 3.31Å; F673-K675 VanDerWaalsContact C-N 3.31Å; F673-K675 PolarHBondContact O-N 2.91Å; F673-L676 PolarHBondContact O-N 3.06Å; F673-V677 HydrophobicContact CD1-CG2 4.32Å; F673-V677 HydrophobicContact CD2-CG2 4.29Å; F673-V677 HydrophobicContact CE1-CG2 3.88Å; F673-V677 HydrophobicContact CE2-CG2 3.86Å; F673-V677 HydrophobicContact CZ-CG2 3.63Å; F673-V677 WeakPolarHBondContact O-CG2 3.41Å; F673-V677 PolarHBondContact O-N 3.47Å
674K82.6Confident79Confident128 Ų12856 Ų5656%0.55727%0.273SS*.Hα-helixtrans-59.1-40.7178.5-74.7172.7-176.2167.60112.3E670 Q671 T672 V677 Y678E670-K674 WeakPolarHBondContact O-CG 3.42Å; E670-K674 PolarHBondContact O-N 3.42Å; Q671-K674 PolarHBondContact O-N 2.93Å; T672-K674 PolarHBondContact O-N 3.47Å; K674-V677 PolarHBondContact O-N 3.36Å; K674-Y678 WeakPolarHBondContact O-CB 3.41Å; K674-Y678 PolarHBondContact O-N 3.04Å
675K78.8Confident79.5Confident34 Ų3456.7 Ų56.715%0.14828%0.277CS..Hα-helixtrans-64.7-41.6177.7-67.2174.1-160.7174.20111.7T534 Q671 T672 F673 F679T534-K675 HydrophobicContact CG2-CD 4.17Å; T534-K675 WeakPolarHBondContact O-CE 3.49Å; T534-K675 PolarHBondContact O-NZ 3.23Å; Q671-K675 VanDerWaalsContact O-CG 3.25Å; Q671-K675 WeakPolarHBondContact O-CG 3.32Å; Q671-K675 PolarHBondContact O-N 2.94Å; Q671-K675 VanDerWaalsContact O-N 3.1Å; T672-K675 PolarHBondContact O-N 3.47Å; F673-K675 VanDerWaalsContact C-N 3.31Å; F673-K675 PolarHBondContact O-N 2.91Å; K675-F679 PolarHBondContact O-N 3.39Å; K675-F679 VanDerWaalsContact O-N 3.15Å
676L84.1Confident80Confident4 Ų449.5 Ų49.52%0.02124%0.242CC..Hα-helixtrans-67-43.7177.3-67-170000112.4L366 L370 F559 V659 T672 F673 Y678 F679 I680L366-L676 HydrophobicContact CD1-CD1 4.23Å; L366-L676 HydrophobicContact CD2-CD1 3.78Å; L366-L676 HydrophobicContact CG-CD1 4.27Å; L370-L676 HydrophobicContact CD1-CD1 3.99Å; L370-L676 HydrophobicContact CD2-CB 4.45Å; F559-L676 HydrophobicContact CD1-CD1 4.49Å; F559-L676 HydrophobicContact CD1-CD2 3.46Å; F559-L676 VanDerWaalsContact CD1-CD2 3.46Å; F559-L676 HydrophobicContact CD2-CD1 4.33Å; F559-L676 HydrophobicContact CE1-CD2 3.35Å; F559-L676 HydrophobicContact CE2-CD2 4.4Å; F559-L676 HydrophobicContact CG-CD1 4.3Å; F559-L676 HydrophobicContact CG-CD2 4.08Å; F559-L676 HydrophobicContact CZ-CD2 3.87Å; V659-L676 HydrophobicContact CG2-CD2 4.2Å; T672-L676 HydrophobicContact CG2-CD1 4.4Å; T672-L676 HydrophobicContact CG2-CG 4.45Å; T672-L676 WeakPolarHBondContact O-CG 3.2Å; T672-L676 PolarHBondContact O-N 3.01Å; F673-L676 PolarHBondContact O-N 3.06Å; L676-Y678 VanDerWaalsContact C-N 3.32Å; L676-Y678 PolarHBondContact O-N 3.42Å; L676-F679 PolarHBondContact O-N 3.01Å; L676-I680 WeakPolarHBondContact O-CD1 3.33Å; L676-I680 VanDerWaalsContact O-CG1 3.31Å; L676-I680 WeakPolarHBondContact O-CG1 3.37Å; L676-I680 PolarHBondContact O-N 2.94Å
677V84.3Confident80Confident21 Ų2150.6 Ų50.613%0.12726%0.258CS..Hα-helixtrans-61.8-42177.2170.80000111.3L370 Y373 Y374 F673 K674 F679 G681L370-V677 HydrophobicContact CD2-CG2 4.23Å; Y373-V677 HydrophobicContact CD1-CG1 4.39Å; Y373-V677 HydrophobicContact CD1-CG2 4.02Å; Y373-V677 HydrophobicContact CE1-CB 4.46Å; Y373-V677 HydrophobicContact CE1-CG1 3.55Å; Y373-V677 HydrophobicContact CE1-CG2 4.01Å; Y374-V677 HydrophobicContact CE2-CG2 4.35Å; Y374-V677 WeakPolarHBondContact OH-CA 2.91Å; F673-V677 HydrophobicContact CD1-CG2 4.32Å; F673-V677 HydrophobicContact CD2-CG2 4.29Å; F673-V677 HydrophobicContact CE1-CG2 3.88Å; F673-V677 HydrophobicContact CE2-CG2 3.86Å; F673-V677 HydrophobicContact CZ-CG2 3.63Å; F673-V677 WeakPolarHBondContact O-CG2 3.41Å; F673-V677 PolarHBondContact O-N 3.47Å; K674-V677 PolarHBondContact O-N 3.36Å; V677-F679 VanDerWaalsContact C-N 3.31Å; V677-F679 PolarHBondContact O-N 3.46Å; V677-G681 PolarHBondContact O-N 3.12Å
678Y78.8Confident79.9Confident113 Ų11347.5 Ų47.544%0.44325%0.246SC..Hα-helixtrans-60.8-40.8176.1-174.7-96.2000112.1L540 T542 K674 L676L540-Y678 VanDerWaalsContact O-CE1 3.29Å; L540-Y678 WeakPolarHBondContact O-CE1 3.41Å; T542-Y678 HydrophobicContact CG2-CD1 4.48Å; T542-Y678 HydrophobicContact CG2-CD2 4.48Å; T542-Y678 HydrophobicContact CG2-CE1 4.18Å; T542-Y678 HydrophobicContact CG2-CE2 4.18Å; T542-Y678 VanDerWaalsContact CG2-O 3.27Å; T542-Y678 WeakPolarHBondContact CG2-O 3.48Å; K674-Y678 WeakPolarHBondContact O-CB 3.41Å; K674-Y678 PolarHBondContact O-N 3.04Å; L676-Y678 VanDerWaalsContact C-N 3.32Å; L676-Y678 PolarHBondContact O-N 3.42Å
679F81.5Confident79.7Confident0 Ų044.7 Ų44.70%024%0.237CC..Hα-helixtrans-69.1-48.7178.9174.6-109.7000113.1Y523 L540 Q543 Y557 F559 I657 K675 L676 V677 G681Y523-F679 HydrophobicContact CE1-CE2 4.47Å; L540-F679 HydrophobicContact CB-CB 4.21Å; L540-F679 HydrophobicContact CB-CD2 3.68Å; L540-F679 HydrophobicContact CB-CE2 4.46Å; L540-F679 HydrophobicContact CB-CG 4.28Å; L540-F679 HydrophobicContact CD1-CB 4.09Å; L540-F679 HydrophobicContact CD1-CD2 4.03Å; L540-F679 HydrophobicContact CD1-CG 4.05Å; L540-F679 HydrophobicContact CD2-CD2 4.02Å; L540-F679 HydrophobicContact CD2-CE2 4.02Å; L540-F679 HydrophobicContact CG-CD2 4.12Å; Q543-F679 HydrophobicContact CG-CD2 4.08Å; Q543-F679 HydrophobicContact CG-CE1 4.32Å; Q543-F679 HydrophobicContact CG-CE2 3.72Å; Q543-F679 HydrophobicContact CG-CZ 3.84Å; Q543-F679 WeakPolarHBondContact CG-O 3.03Å; Q543-F679 PolarHBondContact N-O 2.9Å; Q543-F679 VanDerWaalsContact NE2-CE2 3.35Å; Y557-F679 AromaticContact CD1-CE1 3.65Å; Y557-F679 HydrophobicContact CD1-CE1 3.65Å; Y557-F679 AromaticContact CD1-CZ 3.89Å; Y557-F679 HydrophobicContact CD1-CZ 3.89Å; Y557-F679 HydrophobicContact CD2-CE1 4.26Å; Y557-F679 AromaticContact CE1-CE1 3.67Å; Y557-F679 HydrophobicContact CE1-CE1 3.67Å; Y557-F679 AromaticContact CE1-CZ 3.58Å; Y557-F679 HydrophobicContact CE1-CZ 3.58Å; Y557-F679 HydrophobicContact CE2-CE1 4.28Å; Y557-F679 AromaticContact CG-CE1 3.96Å; Y557-F679 HydrophobicContact CG-CE1 3.96Å; F559-F679 HydrophobicContact CE1-CD1 4.09Å; F559-F679 HydrophobicContact CE1-CE1 4.32Å; F559-F679 HydrophobicContact CZ-CD1 4.07Å; F559-F679 HydrophobicContact CZ-CE1 4.35Å; I657-F679 HydrophobicContact CD1-CD1 3.9Å; I657-F679 HydrophobicContact CD1-CE1 3.15Å; I657-F679 HydrophobicContact CD1-CE2 4.25Å; I657-F679 HydrophobicContact CD1-CZ 3.34Å; K675-F679 PolarHBondContact O-N 3.39Å; K675-F679 VanDerWaalsContact O-N 3.15Å; L676-F679 PolarHBondContact O-N 3.01Å; V677-F679 VanDerWaalsContact C-N 3.31Å; V677-F679 PolarHBondContact O-N 3.46Å; F679-G681 VanDerWaalsContact C-N 3.33Å; F679-G681 PolarHBondContact O-N 2.99Å
680I82.9Confident79Confident3 Ų349.2 Ų49.22%0.01526%0.261CS..Hα-helixtrans-68.6-35.2-177.3-63.4159.4000111.2I351 L353 Y374 F559 L676I351-I680 HydrophobicContact CD1-CG2 4.32Å; I351-I680 HydrophobicContact CG2-CG2 4.31Å; L353-I680 HydrophobicContact CD1-CD1 3.68Å; L353-I680 HydrophobicContact CD2-CD1 4.44Å; Y374-I680 HydrophobicContact CE1-CG2 4.03Å; Y374-I680 HydrophobicContact CE2-CD1 4.09Å; Y374-I680 HydrophobicContact CE2-CG2 4.42Å; Y374-I680 WeakPolarHBondContact OH-CB 3.25Å; Y374-I680 WeakPolarHBondContact OH-CG2 3.44Å; F559-I680 HydrophobicContact CE2-CD1 4.02Å; F559-I680 HydrophobicContact CE2-CG1 4.47Å; F559-I680 HydrophobicContact CZ-CD1 4.03Å; F559-I680 HydrophobicContact CZ-CG1 4.07Å; L676-I680 WeakPolarHBondContact O-CD1 3.33Å; L676-I680 VanDerWaalsContact O-CG1 3.31Å; L676-I680 WeakPolarHBondContact O-CG1 3.37Å; L676-I680 PolarHBondContact O-N 2.94Å
681G82.3Confident78.4Confident8 Ų851 Ų518%0.08227%0.27CS..  trans97.3-171-176.500000113.6Y374 V677 F679Y374-G681 WeakPolarHBondContact CE1-O 3.4Å; Y374-G681 PolarHBondContact OH-O 3.19Å; V677-G681 PolarHBondContact O-N 3.12Å; F679-G681 VanDerWaalsContact C-N 3.33Å; F679-G681 PolarHBondContact O-N 2.99Å
682P81.6Confident78Confident79 Ų7949.8 Ų49.851%0.51326%0.264SS..SBendtrans-65.4158.6-177.428.5-35.2000112.1
683P81.9Confident77.6Confident61 Ų6152.4 Ų52.440%0.39628%0.278SS..  trans-61.9140.717527.1-34000111.6Y374Y374-P683 HydrophobicContact CD1-CB 4.04Å; Y374-P683 HydrophobicContact CE1-CB 4.46Å
684R80.6Confident77.1Confident33 Ų3355.1 Ų55.113%0.12529%0.291CS..  trans-110.625.9-176.6-58.9-179.2-165.8173-1.4112.3L348 I351L348-R684 WeakPolarHBondContact CD2-O 3.27Å; I351-R684 HydrophobicContact CD1-CB 4.22Å; I351-R684 HydrophobicContact CD1-CG 4.07Å
685N81.7Confident76.9Confident23 Ų2354.8 Ų54.812%0.12329%0.289CS..SBendtrans-125.4158.9-177.2-162-2.7000109.3W217 K375 G687W217-N685 PolarHBondContact NE1-OD1 2.87Å; K375-N685 PolarHBondContact O-ND2 3.26Å; N685-G687 PolarHBondContact O-N 3.47Å
686Y77Confident76.7Confident41 Ų4157.9 Ų57.916%0.16130%0.304CS..  trans-60.4133.6167.3-68-72.9000109H210 K214 W217 Y342 R346 L348 K375H210-Y686 AromaticContact CE1-CZ 3.9Å; H210-Y686 PolarHBondContact CE1-OH 3.5Å; H210-Y686 VanDerWaalsContact CE1-OH 3.31Å; K214-Y686 HydrophobicContact CG-CD1 4.48Å; K214-Y686 HydrophobicContact CG-CD2 4.23Å; K214-Y686 HydrophobicContact CG-CE1 4.41Å; K214-Y686 HydrophobicContact CG-CE2 4.17Å; K214-Y686 HydrophobicContact CG-CG 4.4Å; W217-Y686 HydrophobicContact CB-CE2 4.42Å; W217-Y686 AromaticContact CD1-CD2 3.57Å; W217-Y686 HydrophobicContact CG-CD2 4.19Å; W217-Y686 HydrophobicContact CG-CE2 4.19Å; Y342-Y686 PolarHBondContact OH-OH 3.32Å; R346-Y686 WeakPolarHBondContact CD-OH 3.39Å; L348-Y686 HydrophobicContact CD1-CE2 3.69Å; L348-Y686 HydrophobicContact CD2-CD2 4.29Å; L348-Y686 HydrophobicContact CD2-CE2 3.98Å; L348-Y686 HydrophobicContact CG-CE2 4.49Å; K375-Y686 WeakPolarHBondContact CD-O 3.39Å
687G69.7Low76.6Confident56 Ų5665.5 Ų65.558%0.57733%0.333SS*.  trans-61.6-172.6176.300000112.6K375 N685 S689K375-G687 PolarHBondContact NZ-O 3.35Å; K375-G687 VanDerWaalsContact NZ-O 3.16Å; N685-G687 PolarHBondContact O-N 3.47Å; G687-S689 PolarHBondContact O-N 2.87Å
688L69.2Low76.6Confident73 Ų7369.3 Ų69.338%0.38235%0.352SS..  trans-63.5130.4169.6-64.2169000108.8E692 I693 Q696L688-E692 VanDerWaalsContact CA-OE2 3.26Å; L688-E692 WeakPolarHBondContact CA-OE2 3.19Å; L688-E692 HydrophobicContact CB-CB 4.18Å; L688-E692 HydrophobicContact CD2-CB 4.16Å; L688-I693 HydrophobicContact CB-CD1 4.22Å; L688-I693 HydrophobicContact CB-CG1 3.57Å; L688-I693 HydrophobicContact CD1-CG1 4.4Å; L688-Q696 VanDerWaalsContact CD1-OE1 3.23Å
689S65.5Low76.9Confident43 Ų4368.4 Ų68.430%0.30135%0.354SS..  trans-64.2156.7171.972.30000109.8G687 E691 E692 I693G687-S689 PolarHBondContact O-N 2.87Å; S689-E691 PolarHBondContact O-N 3.32Å; S689-E691 VanDerWaalsContact O-N 3.11Å; S689-E692 PolarHBondContact N-OE2 3.45Å; S689-E692 WeakPolarHBondContact O-CA 3.21Å; S689-E692 WeakPolarHBondContact O-CB 3.35Å; S689-E692 PolarHBondContact O-N 3.37Å; S689-E692 VanDerWaalsContact OG-CG 3.27Å; S689-E692 WeakPolarHBondContact OG-CG 3.21Å; S689-E692 PolarHBondContact OG-N 2.99Å; S689-E692 VanDerWaalsContact OG-N 3.09Å; S689-I693 WeakPolarHBondContact O-CG1 3.4Å; S689-I693 PolarHBondContact O-N 3.09Å
690D66.7Low77Confident95 Ų9572.8 Ų72.851%0.50838%0.38SS..Hα-helixtrans-52.6-36.3175.4-73.4-10.9000111.8R296 I693 E694R296-D690 IonicContact NH1-OD2 2.69Å; R296-D690 PolarHBondContact NH1-OD2 2.72Å; D690-I693 PolarHBondContact O-N 3.26Å; D690-E694 WeakPolarHBondContact O-CB 3.33Å; D690-E694 PolarHBondContact O-N 3.06Å
691E68.4Low77.1Confident128 Ų12876 Ų7660%0.59840%0.395SS*.Hα-helixtrans-69.4-39.8176-62.8-172.5-176.800113S689 E694 K695S689-E691 PolarHBondContact O-N 3.32Å; S689-E691 VanDerWaalsContact O-N 3.11Å; E691-E694 PolarHBondContact O-N 3.15Å; E691-K695 VanDerWaalsContact O-CB 3.31Å; E691-K695 WeakPolarHBondContact O-CB 3.37Å; E691-K695 WeakPolarHBondContact O-CG 3.49Å; E691-K695 PolarHBondContact O-N 3.31Å; E691-K695 IonicContact OE2-NZ 3.54Å
692E73.1Confident77.3Confident64 Ų6481.8 Ų81.830%0.29942%0.418SS..Hα-helixtrans-65.6-41.3174.6-73.8171.5161.500110.7K375 L688 S689 E694 K695 Q696K375-E692 IonicContact NZ-OE1 3.29Å; K375-E692 PolarHBondContact NZ-OE1 3.44Å; K375-E692 IonicContact NZ-OE2 3.78Å; K375-E692 PolarHBondContact NZ-OE2 2.6Å; L688-E692 VanDerWaalsContact CA-OE2 3.26Å; L688-E692 WeakPolarHBondContact CA-OE2 3.19Å; L688-E692 HydrophobicContact CB-CB 4.18Å; L688-E692 HydrophobicContact CD2-CB 4.16Å; S689-E692 PolarHBondContact N-OE2 3.45Å; S689-E692 WeakPolarHBondContact O-CA 3.21Å; S689-E692 WeakPolarHBondContact O-CB 3.35Å; S689-E692 PolarHBondContact O-N 3.37Å; S689-E692 VanDerWaalsContact OG-CG 3.27Å; S689-E692 WeakPolarHBondContact OG-CG 3.21Å; S689-E692 PolarHBondContact OG-N 2.99Å; S689-E692 VanDerWaalsContact OG-N 3.09Å; E692-E694 VanDerWaalsContact C-N 3.35Å; E692-K695 PolarHBondContact O-N 3.34Å; E692-Q696 WeakPolarHBondContact O-CB 3.37Å; E692-Q696 WeakPolarHBondContact O-CG 3.38Å; E692-Q696 PolarHBondContact O-N 2.81Å
693I73Confident77.4Confident57 Ų5783.5 Ų83.529%0.29242%0.419SS..Hα-helixtrans-60.7-46.4174.8-65.2169.5000109.7L688 S689 D690 Q696 R697L688-I693 HydrophobicContact CB-CD1 4.22Å; L688-I693 HydrophobicContact CB-CG1 3.57Å; L688-I693 HydrophobicContact CD1-CG1 4.4Å; S689-I693 WeakPolarHBondContact O-CG1 3.4Å; S689-I693 PolarHBondContact O-N 3.09Å; D690-I693 PolarHBondContact O-N 3.26Å; I693-Q696 PolarHBondContact O-N 3.3Å; I693-R697 VanDerWaalsContact O-CG 3.29Å; I693-R697 WeakPolarHBondContact O-CG 3.41Å; I693-R697 PolarHBondContact O-N 3.27Å
694E75.2Confident77.6Confident94 Ų9486.9 Ų86.944%0.43942%0.424SS..Hα-helixtrans-66.8-42.8178.8-169.358.3-152.300111.8D690 E691 E692 Q696 R697 L698D690-E694 WeakPolarHBondContact O-CB 3.33Å; D690-E694 PolarHBondContact O-N 3.06Å; E691-E694 PolarHBondContact O-N 3.15Å; E692-E694 VanDerWaalsContact C-N 3.35Å; E694-Q696 VanDerWaalsContact C-N 3.32Å; E694-Q696 PolarHBondContact O-N 2.8Å; E694-R697 WeakPolarHBondContact O-CB 3.24Å; E694-R697 PolarHBondContact O-N 3.33Å; E694-L698 HydrophobicContact CG-CD1 4.38Å; E694-L698 WeakPolarHBondContact O-CB 3.33Å; E694-L698 VanDerWaalsContact O-CG 3.29Å; E694-L698 WeakPolarHBondContact O-CG 3.5Å; E694-L698 PolarHBondContact O-N 3.03Å
695K78.8Confident77.9Confident121 Ų12188.7 Ų88.753%0.52644%0.435SS..Hα-helixtrans-59.4-43173.1-76.3169.1-174.6164.60111.4E691 E692 L698 I699E691-K695 VanDerWaalsContact O-CB 3.31Å; E691-K695 WeakPolarHBondContact O-CB 3.37Å; E691-K695 WeakPolarHBondContact O-CG 3.49Å; E691-K695 PolarHBondContact O-N 3.31Å; E691-K695 IonicContact OE2-NZ 3.54Å; E692-K695 PolarHBondContact O-N 3.34Å; K695-L698 PolarHBondContact O-N 3.47Å; K695-I699 WeakPolarHBondContact O-CB 3.44Å; K695-I699 WeakPolarHBondContact O-CD1 3.41Å; K695-I699 WeakPolarHBondContact O-CG1 3.49Å; K695-I699 PolarHBondContact O-N 3.31Å
696Q75.4Confident78.2Confident98 Ų9892.1 Ų92.146%0.45845%0.451SS..Hα-helixtrans-63.4-43.9175.4-78.6-176.30.200111.5L688 E692 I693 E694 L698 I699 V700L688-Q696 VanDerWaalsContact CD1-OE1 3.23Å; E692-Q696 WeakPolarHBondContact O-CB 3.37Å; E692-Q696 WeakPolarHBondContact O-CG 3.38Å; E692-Q696 PolarHBondContact O-N 2.81Å; I693-Q696 PolarHBondContact O-N 3.3Å; E694-Q696 VanDerWaalsContact C-N 3.32Å; E694-Q696 PolarHBondContact O-N 2.8Å; Q696-L698 VanDerWaalsContact C-N 3.32Å; Q696-L698 PolarHBondContact O-N 3.12Å; Q696-I699 PolarHBondContact O-N 3.34Å; Q696-V700 WeakPolarHBondContact O-CB 3.44Å; Q696-V700 VanDerWaalsContact O-CG2 3.26Å; Q696-V700 WeakPolarHBondContact O-CG2 3.26Å; Q696-V700 PolarHBondContact O-N 2.9Å
697R81Confident78.6Confident164 Ų16496.6 Ų96.662%0.61947%0.471SS*.Hα-helixtrans-57.2-45.9173.8-74.4172.6179.7-161.70.3111.4I693 E694 V700 E701I693-R697 VanDerWaalsContact O-CG 3.29Å; I693-R697 WeakPolarHBondContact O-CG 3.41Å; I693-R697 PolarHBondContact O-N 3.27Å; E694-R697 WeakPolarHBondContact O-CB 3.24Å; E694-R697 PolarHBondContact O-N 3.33Å; R697-V700 PolarHBondContact O-N 3.45Å; R697-E701 WeakPolarHBondContact O-CB 3.16Å; R697-E701 PolarHBondContact O-N 3.35Å
698L85.4Confident79.5Confident102 Ų10298.6 Ų98.653%0.53447%0.466SS..Hα-helixtrans-64.8-39.4177.3-70.3170.7000112.7E694 K695 Q696 K702E694-L698 HydrophobicContact CG-CD1 4.38Å; E694-L698 WeakPolarHBondContact O-CB 3.33Å; E694-L698 VanDerWaalsContact O-CG 3.29Å; E694-L698 WeakPolarHBondContact O-CG 3.5Å; E694-L698 PolarHBondContact O-N 3.03Å; K695-L698 PolarHBondContact O-N 3.47Å; Q696-L698 VanDerWaalsContact C-N 3.32Å; Q696-L698 PolarHBondContact O-N 3.12Å; L698-K702 VanDerWaalsContact O-CB 3.23Å; L698-K702 WeakPolarHBondContact O-CB 3.47Å; L698-K702 PolarHBondContact O-N 2.96Å
699I84Confident80.4Confident94 Ų94101.9 Ų101.948%0.48247%0.473SS..Hα-helixtrans-66-47.3176.1-70.9163.6000110.5K695 Q696 E701 K702 Q703K695-I699 WeakPolarHBondContact O-CB 3.44Å; K695-I699 WeakPolarHBondContact O-CD1 3.41Å; K695-I699 WeakPolarHBondContact O-CG1 3.49Å; K695-I699 PolarHBondContact O-N 3.31Å; Q696-I699 PolarHBondContact O-N 3.34Å; I699-E701 VanDerWaalsContact C-N 3.33Å; I699-K702 PolarHBondContact O-N 3Å; I699-Q703 HydrophobicContact CG2-CG 4.43Å; I699-Q703 WeakPolarHBondContact O-CB 3.47Å; I699-Q703 WeakPolarHBondContact O-CG 3.48Å; I699-Q703 PolarHBondContact O-N 3.22Å
700V84.2Confident81.6Confident91 Ų91102.4 Ų102.455%0.55248%0.48SS*.Hα-helixtrans-62.7-42.8178.2170.90000110.4Q696 R697 Q703 R704Q696-V700 WeakPolarHBondContact O-CB 3.44Å; Q696-V700 VanDerWaalsContact O-CG2 3.26Å; Q696-V700 WeakPolarHBondContact O-CG2 3.26Å; Q696-V700 PolarHBondContact O-N 2.9Å; R697-V700 PolarHBondContact O-N 3.45Å; V700-Q703 PolarHBondContact O-N 3.14Å; V700-R704 WeakPolarHBondContact O-CB 3.01Å; V700-R704 PolarHBondContact O-N 3.45Å
701E83.7Confident82.5Confident72 Ų72101.1 Ų101.134%0.33647%0.471SS..Hα-helixtrans-62.2-44.8175.2-175.159.5-147.200111.4R697 I699 R704 I705R697-E701 WeakPolarHBondContact O-CB 3.16Å; R697-E701 PolarHBondContact O-N 3.35Å; I699-E701 VanDerWaalsContact C-N 3.33Å; E701-R704 WeakPolarHBondContact O-CB 3.36Å; E701-R704 PolarHBondContact O-N 3.07Å; E701-R704 IonicContact OE1-CZ 2.96Å; E701-R704 IonicContact OE1-NE 2.57Å; E701-R704 IonicContact OE1-NH2 3.27Å; E701-R704 PolarHBondContact OE1-NH2 3.34Å; E701-R704 IonicContact OE2-CZ 3.54Å; E701-R704 IonicContact OE2-NE 3.36Å; E701-R704 IonicContact OE2-NH1 3.02Å; E701-R704 IonicContact OE2-NH2 2.72Å; E701-R704 PolarHBondContact OE2-NH2 3.29Å; E701-I705 HydrophobicContact CG-CD1 4.13Å; E701-I705 WeakPolarHBondContact O-CG1 3.23Å; E701-I705 PolarHBondContact O-N 2.89Å
702K87.4Confident83.4Confident128 Ų128101.8 Ų101.856%0.55747%0.474SS*.Hα-helixtrans-62.4-44.1176.1-177.1179.2172.3-176.40111.9L698 I699 R704 I705 E706L698-K702 VanDerWaalsContact O-CB 3.23Å; L698-K702 WeakPolarHBondContact O-CB 3.47Å; L698-K702 PolarHBondContact O-N 2.96Å; I699-K702 PolarHBondContact O-N 3Å; K702-R704 VanDerWaalsContact C-N 3.32Å; K702-R704 PolarHBondContact O-N 2.97Å; K702-I705 PolarHBondContact O-N 3.06Å; K702-E706 WeakPolarHBondContact CE-OE1 3.19Å; K702-E706 IonicContact NZ-OE1 3.97Å; K702-E706 WeakPolarHBondContact O-CB 3.34Å; K702-E706 WeakPolarHBondContact O-CG 3.37Å; K702-E706 PolarHBondContact O-N 2.93Å
703Q84.5Confident84.1Confident116 Ų116103.9 Ų103.954%0.54248%0.484SS..Hα-helixtrans-62.9-39.3176-76.3177.6-700111.6I699 V700 E706 F707I699-Q703 HydrophobicContact CG2-CG 4.43Å; I699-Q703 WeakPolarHBondContact O-CB 3.47Å; I699-Q703 WeakPolarHBondContact O-CG 3.48Å; I699-Q703 PolarHBondContact O-N 3.22Å; V700-Q703 PolarHBondContact O-N 3.14Å; Q703-E706 PolarHBondContact O-N 3.11Å; Q703-F707 VanDerWaalsContact O-CB 3.27Å; Q703-F707 WeakPolarHBondContact O-CB 3.44Å; Q703-F707 PolarHBondContact O-N 3.47Å
704R85.9Confident84.9Confident131 Ų131107.6 Ų107.649%0.49449%0.494SS..Hα-helixtrans-61-48.9174.5-173.6179.872.3173.94111.1V700 E701 K702 E706 F707 E708V700-R704 WeakPolarHBondContact O-CB 3.01Å; V700-R704 PolarHBondContact O-N 3.45Å; E701-R704 WeakPolarHBondContact O-CB 3.36Å; E701-R704 PolarHBondContact O-N 3.07Å; E701-R704 IonicContact OE1-CZ 2.96Å; E701-R704 IonicContact OE1-NE 2.57Å; E701-R704 IonicContact OE1-NH2 3.27Å; E701-R704 PolarHBondContact OE1-NH2 3.34Å; E701-R704 IonicContact OE2-CZ 3.54Å; E701-R704 IonicContact OE2-NE 3.36Å; E701-R704 IonicContact OE2-NH1 3.02Å; E701-R704 IonicContact OE2-NH2 2.72Å; E701-R704 PolarHBondContact OE2-NH2 3.29Å; K702-R704 VanDerWaalsContact C-N 3.32Å; K702-R704 PolarHBondContact O-N 2.97Å; R704-E706 PolarHBondContact O-N 3.36Å; R704-F707 PolarHBondContact O-N 3.09Å; R704-E708 WeakPolarHBondContact O-CB 3.44Å; R704-E708 WeakPolarHBondContact O-CG 3.27Å; R704-E708 PolarHBondContact O-N 3.35Å
705I87.2Confident85.6Confident71 Ų71108.1 Ų108.136%0.36450%0.499SS..Hα-helixtrans-63.3-40.9178.3-66.7166.5000111.5E701 K702 R709E701-I705 HydrophobicContact CG-CD1 4.13Å; E701-I705 WeakPolarHBondContact O-CG1 3.23Å; E701-I705 PolarHBondContact O-N 2.89Å; K702-I705 PolarHBondContact O-N 3.06Å; I705-R709 WeakPolarHBondContact O-CB 3.36Å; I705-R709 PolarHBondContact O-N 3.27Å
706E87.5Confident86.2Confident96 Ų96109.3 Ų109.345%0.44951%0.505SS..Hα-helixtrans-66-40.7176.5-77.2176.8178.800111.9K702 Q703 R704 R709 A710K702-E706 WeakPolarHBondContact CE-OE1 3.19Å; K702-E706 IonicContact NZ-OE1 3.97Å; K702-E706 WeakPolarHBondContact O-CB 3.34Å; K702-E706 WeakPolarHBondContact O-CG 3.37Å; K702-E706 PolarHBondContact O-N 2.93Å; Q703-E706 PolarHBondContact O-N 3.11Å; R704-E706 PolarHBondContact O-N 3.36Å; E706-R709 PolarHBondContact O-N 3.08Å; E706-A710 WeakPolarHBondContact O-CB 3.49Å; E706-A710 PolarHBondContact O-N 2.92Å
707F85.6Confident86.8Confident134 Ų134110.5 Ų110.559%0.58851%0.51SS*.Hα-helixtrans-64.3-46.7174.9-177.5-94.8000111.7Q703 R704 R709 A710 E711Q703-F707 VanDerWaalsContact O-CB 3.27Å; Q703-F707 WeakPolarHBondContact O-CB 3.44Å; Q703-F707 PolarHBondContact O-N 3.47Å; R704-F707 PolarHBondContact O-N 3.09Å; F707-R709 VanDerWaalsContact C-N 3.34Å; F707-R709 PolarHBondContact O-N 3.02Å; F707-A710 PolarHBondContact O-N 2.92Å; F707-E711 HydrophobicContact CD1-CG 4.29Å; F707-E711 HydrophobicContact CE1-CG 3.8Å; F707-E711 HydrophobicContact CE2-CG 4.48Å; F707-E711 HydrophobicContact CZ-CG 3.9Å; F707-E711 PolarHBondContact O-N 3.04Å
708E87.3Confident87.2Confident99 Ų99108.4 Ų108.446%0.46351%0.507SS..Hα-helixtrans-58.7-44.7175.4-75172.7-178.200111.3R704 A710 E711 E712R704-E708 WeakPolarHBondContact O-CB 3.44Å; R704-E708 WeakPolarHBondContact O-CG 3.27Å; R704-E708 PolarHBondContact O-N 3.35Å; E708-A710 PolarHBondContact O-N 3.49Å; E708-E711 PolarHBondContact O-N 2.92Å; E708-E712 WeakPolarHBondContact O-CB 3.48Å; E708-E712 WeakPolarHBondContact O-CG 3.36Å; E708-E712 PolarHBondContact O-N 3.02Å
709R89.2Confident87.4Confident141 Ų141107.9 Ų107.953%0.53250%0.504SS..Hα-helixtrans-63-42.3176.2-171.9-175.8-61.5157.73.9112.5I705 E706 F707 E712 E713I705-R709 WeakPolarHBondContact O-CB 3.36Å; I705-R709 PolarHBondContact O-N 3.27Å; E706-R709 PolarHBondContact O-N 3.08Å; F707-R709 VanDerWaalsContact C-N 3.34Å; F707-R709 PolarHBondContact O-N 3.02Å; R709-E712 PolarHBondContact O-N 3.35Å; R709-E713 WeakPolarHBondContact O-CB 3.23Å; R709-E713 WeakPolarHBondContact O-CG 3.21Å; R709-E713 PolarHBondContact O-N 2.96Å
710A90.4Very high87.6Confident55 Ų55109.3 Ų109.346%0.45551%0.509SS..Hα-helixtrans-66.7-39.2178.900000112E706 F707 E708 R714E706-A710 WeakPolarHBondContact O-CB 3.49Å; E706-A710 PolarHBondContact O-N 2.92Å; F707-A710 PolarHBondContact O-N 2.92Å; E708-A710 PolarHBondContact O-N 3.49Å; A710-R714 WeakPolarHBondContact O-CB 3.2Å; A710-R714 PolarHBondContact O-N 3.14Å
711E85.6Confident87.9Confident68 Ų68108.9 Ų108.932%0.31851%0.507SS..Hα-helixtrans-65.1-42.8172.7-78.7-71.3133.900111.5F707 E708 R714 L715F707-E711 HydrophobicContact CD1-CG 4.29Å; F707-E711 HydrophobicContact CE1-CG 3.8Å; F707-E711 HydrophobicContact CE2-CG 4.48Å; F707-E711 HydrophobicContact CZ-CG 3.9Å; F707-E711 PolarHBondContact O-N 3.04Å; E708-E711 PolarHBondContact O-N 2.92Å; E711-R714 PolarHBondContact O-N 3.28Å; E711-R714 IonicContact OE1-CZ 3.85Å; E711-R714 VanDerWaalsContact OE1-CZ 3.24Å; E711-R714 IonicContact OE1-NH1 3.65Å; E711-R714 PolarHBondContact OE1-NH1 3.4Å; E711-R714 IonicContact OE1-NH2 3.47Å; E711-R714 PolarHBondContact OE1-NH2 2.96Å; E711-R714 IonicContact OE2-CZ 2.89Å; E711-R714 IonicContact OE2-NH1 3.7Å; E711-R714 IonicContact OE2-NH2 3.97Å; E711-R714 PolarHBondContact OE2-NH2 3.24Å; E711-L715 WeakPolarHBondContact O-CB 3.42Å; E711-L715 PolarHBondContact O-N 3Å
712E87.3Confident88.3Confident141 Ų141108 Ų10866%0.65951%0.512SS*.Hα-helixtrans-61.5-43.5175.1-77.2-177.4173.300112.3E708 R709 L715 K716E708-E712 WeakPolarHBondContact O-CB 3.48Å; E708-E712 WeakPolarHBondContact O-CG 3.36Å; E708-E712 PolarHBondContact O-N 3.02Å; R709-E712 PolarHBondContact O-N 3.35Å; E712-L715 PolarHBondContact O-N 3.49Å; E712-K716 WeakPolarHBondContact O-CB 3.45Å; E712-K716 PolarHBondContact O-N 3.4Å
713E88.4Confident88.4Confident109 Ų109107.3 Ų107.351%0.50951%0.511SS..Hα-helixtrans-64.9-41.8175.4-76.9179.6-173.200111.9R709 K716 Q717R709-E713 WeakPolarHBondContact O-CB 3.23Å; R709-E713 WeakPolarHBondContact O-CG 3.21Å; R709-E713 PolarHBondContact O-N 2.96Å; E713-K716 PolarHBondContact O-N 3.24Å; E713-Q717 WeakPolarHBondContact O-CG 3.27Å; E713-Q717 PolarHBondContact O-N 2.94Å
714R89.7Confident88.7Confident135 Ų135104.5 Ų104.551%0.50951%0.507SS..Hα-helixtrans-61.5-46.2175.9-164.8-175.279.8-142.4-14110.9A710 E711 K716 Q717 E718A710-R714 WeakPolarHBondContact O-CB 3.2Å; A710-R714 PolarHBondContact O-N 3.14Å; E711-R714 PolarHBondContact O-N 3.28Å; E711-R714 IonicContact OE1-CZ 3.85Å; E711-R714 VanDerWaalsContact OE1-CZ 3.24Å; E711-R714 IonicContact OE1-NH1 3.65Å; E711-R714 PolarHBondContact OE1-NH1 3.4Å; E711-R714 IonicContact OE1-NH2 3.47Å; E711-R714 PolarHBondContact OE1-NH2 2.96Å; E711-R714 IonicContact OE2-CZ 2.89Å; E711-R714 IonicContact OE2-NH1 3.7Å; E711-R714 IonicContact OE2-NH2 3.97Å; E711-R714 PolarHBondContact OE2-NH2 3.24Å; R714-K716 VanDerWaalsContact C-N 3.32Å; R714-K716 PolarHBondContact O-N 3.01Å; R714-Q717 PolarHBondContact O-N 3.09Å; R714-E718 WeakPolarHBondContact O-CB 3.36Å; R714-E718 PolarHBondContact O-N 3.37Å
715L89.1Confident89Confident104 Ų104103.5 Ų103.555%0.54551%0.508SS..Hα-helixtrans-62.6-40.3177.9-168.873.1000111.3E711 E712 E718 I719E711-L715 WeakPolarHBondContact O-CB 3.42Å; E711-L715 PolarHBondContact O-N 3Å; E712-L715 PolarHBondContact O-N 3.49Å; L715-E718 PolarHBondContact O-N 3.2Å; L715-I719 HydrophobicContact CG-CD1 4.29Å; L715-I719 VanDerWaalsContact O-CG1 3.28Å; L715-I719 WeakPolarHBondContact O-CG1 3.37Å; L715-I719 PolarHBondContact O-N 3.49Å
716K91.2Very high89.1Confident147 Ų147107.8 Ų107.864%0.63952%0.52SS*.Hα-helixtrans-64.6-42.5176.5-173.5179.8176.5-174.60112.3E712 E713 R714 I719 E720E712-K716 WeakPolarHBondContact O-CB 3.45Å; E712-K716 PolarHBondContact O-N 3.4Å; E713-K716 PolarHBondContact O-N 3.24Å; R714-K716 VanDerWaalsContact C-N 3.32Å; R714-K716 PolarHBondContact O-N 3.01Å; K716-I719 PolarHBondContact O-N 2.99Å; K716-E720 WeakPolarHBondContact O-CB 3.42Å; K716-E720 PolarHBondContact O-N 3.41Å
717Q88.9Confident89.3Confident122 Ų122107.4 Ų107.457%0.5752%0.521SS*.Hα-helixtrans-65.2-39.9175-72.6178.58.100111.8E713 R714 I719 E720 T721E713-Q717 WeakPolarHBondContact O-CG 3.27Å; E713-Q717 PolarHBondContact O-N 2.94Å; R714-Q717 PolarHBondContact O-N 3.09Å; Q717-I719 VanDerWaalsContact C-N 3.35Å; Q717-I719 PolarHBondContact O-N 2.85Å; Q717-E720 PolarHBondContact O-N 3.27Å; Q717-T721 WeakPolarHBondContact O-CB 3.25Å; Q717-T721 VanDerWaalsContact O-CG2 3.29Å; Q717-T721 WeakPolarHBondContact O-CG2 3.42Å; Q717-T721 PolarHBondContact O-N 3.02Å; Q717-T721 PolarHBondContact O-OG1 2.81Å
718E88.4Confident89.5Confident120 Ų120106.5 Ų106.556%0.56152%0.518SS*.Hα-helixtrans-62.3-41.4175.5-167.8173.718000111.7R714 L715 T721 A722R714-E718 WeakPolarHBondContact O-CB 3.36Å; R714-E718 PolarHBondContact O-N 3.37Å; L715-E718 PolarHBondContact O-N 3.2Å; E718-T721 WeakPolarHBondContact CA-OG1 3.49Å; E718-T721 PolarHBondContact O-OG1 2.97Å; E718-A722 VanDerWaalsContact O-CB 3.24Å; E718-A722 WeakPolarHBondContact O-CB 3.37Å; E718-A722 PolarHBondContact O-N 2.95Å
719I89.6Confident89.7Confident91 Ų91108.5 Ų108.547%0.46752%0.522SS..Hα-helixtrans-64.1-47.9173.3-67.3165.4000111L715 K716 Q717 T721 A722 E723L715-I719 HydrophobicContact CG-CD1 4.29Å; L715-I719 VanDerWaalsContact O-CG1 3.28Å; L715-I719 WeakPolarHBondContact O-CG1 3.37Å; L715-I719 PolarHBondContact O-N 3.49Å; K716-I719 PolarHBondContact O-N 2.99Å; Q717-I719 VanDerWaalsContact C-N 3.35Å; Q717-I719 PolarHBondContact O-N 2.85Å; I719-T721 PolarHBondContact O-N 3.07Å; I719-A722 PolarHBondContact O-N 3.36Å; I719-E723 HydrophobicContact CG2-CG 4.48Å; I719-E723 WeakPolarHBondContact O-CB 3.47Å; I719-E723 WeakPolarHBondContact O-CG 3.32Å; I719-E723 PolarHBondContact O-N 3.5Å
720E88.6Confident89.6Confident124 Ų124107.5 Ų107.558%0.57953%0.525SS*.Hα-helixtrans-64.3-41.8-178.1-174.1171.8-170.500112.2K716 Q717 E723 A724K716-E720 WeakPolarHBondContact O-CB 3.42Å; K716-E720 PolarHBondContact O-N 3.41Å; Q717-E720 PolarHBondContact O-N 3.27Å; E720-E723 PolarHBondContact O-N 3.47Å; E720-A724 WeakPolarHBondContact O-CB 3.28Å; E720-A724 PolarHBondContact O-N 3.34Å
721T90.1Very high89.7Confident82 Ų82111.7 Ų111.750%0.50353%0.532SS..Hα-helixtrans-65-44.2174.7500000111.8Q717 E718 I719 E723 A724 E725Q717-T721 WeakPolarHBondContact O-CB 3.25Å; Q717-T721 VanDerWaalsContact O-CG2 3.29Å; Q717-T721 WeakPolarHBondContact O-CG2 3.42Å; Q717-T721 PolarHBondContact O-N 3.02Å; Q717-T721 PolarHBondContact O-OG1 2.81Å; E718-T721 WeakPolarHBondContact CA-OG1 3.49Å; E718-T721 PolarHBondContact O-OG1 2.97Å; I719-T721 PolarHBondContact O-N 3.07Å; T721-E723 VanDerWaalsContact C-N 3.32Å; T721-E723 PolarHBondContact O-N 2.88Å; T721-A724 PolarHBondContact O-N 2.73Å; T721-E725 WeakPolarHBondContact O-CG 3.21Å; T721-E725 PolarHBondContact O-N 3.27Å
722A91.5Very high90Very high54 Ų54112.1 Ų112.145%0.44653%0.534SS..Hα-helixtrans-62.1-38.5175.300000112.4E718 I719 R726E718-A722 VanDerWaalsContact O-CB 3.24Å; E718-A722 WeakPolarHBondContact O-CB 3.37Å; E718-A722 PolarHBondContact O-N 2.95Å; I719-A722 PolarHBondContact O-N 3.36Å; A722-R726 WeakPolarHBondContact O-CB 3.44Å; A722-R726 PolarHBondContact O-N 2.66Å
723E89.7Confident89.9Confident114 Ų114114.4 Ų114.453%0.53354%0.537SS..Hα-helixtrans-66.9-42174.1-76-175.1172.900112.2I719 E720 T721 R726 N727I719-E723 HydrophobicContact CG2-CG 4.48Å; I719-E723 WeakPolarHBondContact O-CB 3.47Å; I719-E723 WeakPolarHBondContact O-CG 3.32Å; I719-E723 PolarHBondContact O-N 3.5Å; E720-E723 PolarHBondContact O-N 3.47Å; T721-E723 VanDerWaalsContact C-N 3.32Å; T721-E723 PolarHBondContact O-N 2.88Å; E723-R726 PolarHBondContact O-N 3.03Å; E723-N727 WeakPolarHBondContact O-CB 3.44Å; E723-N727 VanDerWaalsContact O-CG 3.24Å; E723-N727 PolarHBondContact O-N 2.97Å; E723-N727 PolarHBondContact O-ND2 2.89Å
724A92.3Very high90.1Very high57 Ų57114.6 Ų114.647%0.47154%0.536SS..Hα-helixtrans-62.4-46.7176.400000111.9E720 T721 R726 N727 Q728E720-A724 WeakPolarHBondContact O-CB 3.28Å; E720-A724 PolarHBondContact O-N 3.34Å; T721-A724 PolarHBondContact O-N 2.73Å; A724-R726 VanDerWaalsContact C-N 3.35Å; A724-R726 PolarHBondContact O-N 3.27Å; A724-N727 PolarHBondContact O-N 3Å; A724-Q728 PolarHBondContact O-N 3.32Å
725E91Very high90.2Very high109 Ų109114.5 Ų114.551%0.50954%0.541SS..Hα-helixtrans-61.6-42175.4-73.7-172.218000112.3T721 N727 Q728 R729T721-E725 WeakPolarHBondContact O-CG 3.21Å; T721-E725 PolarHBondContact O-N 3.27Å; E725-N727 VanDerWaalsContact C-N 3.31Å; E725-N727 PolarHBondContact O-N 2.93Å; E725-Q728 PolarHBondContact O-N 3.11Å; E725-R729 WeakPolarHBondContact O-CB 3.48Å; E725-R729 PolarHBondContact O-N 2.57Å; E725-R729 IonicContact OE2-NH2 3.63Å; E725-R729 PolarHBondContact OE2-NH2 3.08Å
726R90.1Very high90.2Very high162 Ų162116.1 Ų116.161%0.61154%0.544SS*.Hα-helixtrans-60.8-43.3176.2-178.9-178.3175.2175.8-0.9110.8A722 E723 A724 R729 M730A722-R726 WeakPolarHBondContact O-CB 3.44Å; A722-R726 PolarHBondContact O-N 2.66Å; E723-R726 PolarHBondContact O-N 3.03Å; A724-R726 VanDerWaalsContact C-N 3.35Å; A724-R726 PolarHBondContact O-N 3.27Å; R726-R729 PolarHBondContact O-N 3Å; R726-M730 WeakPolarHBondContact O-CG 3.33Å; R726-M730 PolarHBondContact O-N 3.37Å
727N91.1Very high90.1Very high87 Ų87116.2 Ų116.247%0.46554%0.541SS..Hα-helixtrans-65.8-39177.7-74.6-25.9000112.1E723 A724 E725 M730 K731E723-N727 WeakPolarHBondContact O-CB 3.44Å; E723-N727 VanDerWaalsContact O-CG 3.24Å; E723-N727 PolarHBondContact O-N 2.97Å; E723-N727 PolarHBondContact O-ND2 2.89Å; A724-N727 PolarHBondContact O-N 3Å; E725-N727 VanDerWaalsContact C-N 3.31Å; E725-N727 PolarHBondContact O-N 2.93Å; N727-M730 PolarHBondContact O-N 2.94Å; N727-K731 WeakPolarHBondContact O-CG 3.4Å; N727-K731 PolarHBondContact O-N 2.99Å
728Q90.8Very high90.1Very high116 Ų116115 Ų11554%0.54254%0.535SS..Hα-helixtrans-65.2-47.9174.7-175176.9-1300111.7A724 E725 M730 K731 E732A724-Q728 PolarHBondContact O-N 3.32Å; E725-Q728 PolarHBondContact O-N 3.11Å; Q728-M730 VanDerWaalsContact C-N 3.25Å; Q728-M730 PolarHBondContact O-N 2.91Å; Q728-K731 WeakPolarHBondContact O-CB 3.27Å; Q728-K731 PolarHBondContact O-N 2.66Å; Q728-E732 HydrophobicContact CG-CG 4.47Å; Q728-E732 WeakPolarHBondContact CG-OE1 3.39Å; Q728-E732 PolarHBondContact NE2-OE1 3.27Å; Q728-E732 PolarHBondContact O-N 3.06Å
729R90.8Very high90.3Very high141 Ų141112.1 Ų112.153%0.53253%0.532SS..Hα-helixtrans-56.2-39.8174.9-82.4-177.9-102.6130.6-5.8112.1E725 R726 W733E725-R729 WeakPolarHBondContact O-CB 3.48Å; E725-R729 PolarHBondContact O-N 2.57Å; E725-R729 IonicContact OE2-NH2 3.63Å; E725-R729 PolarHBondContact OE2-NH2 3.08Å; R726-R729 PolarHBondContact O-N 3Å; R729-W733 VanDerWaalsContact O-CB 3.25Å; R729-W733 WeakPolarHBondContact O-CB 3.23Å; R729-W733 PolarHBondContact O-N 3.28Å
730M87Confident90.2Very high120 Ų120113.2 Ų113.259%0.59154%0.538SS*.Hα-helixtrans-65.9-39.3175.3-74.4-128-6400113R726 N727 Q728 K734R726-M730 WeakPolarHBondContact O-CG 3.33Å; R726-M730 PolarHBondContact O-N 3.37Å; N727-M730 PolarHBondContact O-N 2.94Å; Q728-M730 VanDerWaalsContact C-N 3.25Å; Q728-M730 PolarHBondContact O-N 2.91Å; M730-K734 WeakPolarHBondContact O-CB 3.45Å; M730-K734 PolarHBondContact O-N 2.96Å
731K92.4Very high90.1Very high143 Ų143111.6 Ų111.662%0.62253%0.53SS*.Hα-helixtrans-65.5-49.7175.9-73.7177.5-178178.40111.5N727 Q728 W733 K734 E735N727-K731 WeakPolarHBondContact O-CG 3.4Å; N727-K731 PolarHBondContact O-N 2.99Å; Q728-K731 WeakPolarHBondContact O-CB 3.27Å; Q728-K731 PolarHBondContact O-N 2.66Å; K731-W733 VanDerWaalsContact C-N 3.29Å; K731-W733 PolarHBondContact O-N 2.95Å; K731-K734 WeakPolarHBondContact O-CB 3.45Å; K731-K734 PolarHBondContact O-N 3.34Å; K731-K734 VanDerWaalsContact O-N 3.08Å; K731-E735 PolarHBondContact O-N 2.98Å
732E91.5Very high90Very high77 Ų77114.3 Ų114.336%0.3654%0.535SS..Hα-helixtrans-60-39.7177.6-70.4177-167.700111.8Q728 E735 K736Q728-E732 HydrophobicContact CG-CG 4.47Å; Q728-E732 WeakPolarHBondContact CG-OE1 3.39Å; Q728-E732 PolarHBondContact NE2-OE1 3.27Å; Q728-E732 PolarHBondContact O-N 3.06Å; E732-E735 PolarHBondContact O-N 3.41Å; E732-K736 WeakPolarHBondContact O-CB 3.38Å; E732-K736 WeakPolarHBondContact O-CG 3.33Å; E732-K736 PolarHBondContact O-N 3.42Å
733W85.9Confident89.8Confident188 Ų188117.9 Ų117.971%0.71254%0.543SS*.Hα-helixtrans-63.7-41.1174.9-172.9-93.4000112.1R729 K731 R737R729-W733 VanDerWaalsContact O-CB 3.25Å; R729-W733 WeakPolarHBondContact O-CB 3.23Å; R729-W733 PolarHBondContact O-N 3.28Å; K731-W733 VanDerWaalsContact C-N 3.29Å; K731-W733 PolarHBondContact O-N 2.95Å; W733-R737 WeakPolarHBondContact O-CB 3.36Å; W733-R737 PolarHBondContact O-N 3.38Å
734K91.6Very high89.7Confident114 Ų114118.3 Ų118.350%0.49655%0.545SS..Hα-helixtrans-64.8-46177.3-170.8-175.3176.9-166.70111.4M730 K731 R737 E738M730-K734 WeakPolarHBondContact O-CB 3.45Å; M730-K734 PolarHBondContact O-N 2.96Å; K731-K734 WeakPolarHBondContact O-CB 3.45Å; K731-K734 PolarHBondContact O-N 3.34Å; K731-K734 VanDerWaalsContact O-N 3.08Å; K734-R737 PolarHBondContact O-N 2.92Å; K734-E738 WeakPolarHBondContact CE-OE1 3.36Å; K734-E738 WeakPolarHBondContact O-CG 3.44Å; K734-E738 PolarHBondContact O-N 3.38Å
735E92Very high89.4Confident132 Ų132121 Ų12162%0.61755%0.546SS*.Hα-helixtrans-62.9-45.2177.1-72.4176.4-179.400111.8K731 E732 R737 E738 A739K731-E735 PolarHBondContact O-N 2.98Å; E732-E735 PolarHBondContact O-N 3.41Å; E735-R737 VanDerWaalsContact C-N 3.3Å; E735-R737 PolarHBondContact O-N 2.91Å; E735-E738 PolarHBondContact O-N 3.34Å; E735-A739 WeakPolarHBondContact O-CB 3.45Å; E735-A739 PolarHBondContact O-N 3.27Å
736K89.7Confident89.3Confident138 Ų138119.6 Ų119.660%0.654%0.541SS*.Hα-helixtrans-58.3-42.5174.1-80.1175.9179.7167.40111.7E732 A739 L740E732-K736 WeakPolarHBondContact O-CB 3.38Å; E732-K736 WeakPolarHBondContact O-CG 3.33Å; E732-K736 PolarHBondContact O-N 3.42Å; K736-A739 PolarHBondContact O-N 3.34Å; K736-L740 WeakPolarHBondContact O-CB 3.38Å; K736-L740 PolarHBondContact O-N 3.24Å
737R88.4Confident89.2Confident150 Ų150116.3 Ų116.357%0.56654%0.536SS*.Hα-helixtrans-64.9-43.6178.1-171.3-176.467.5172.42.8112W733 K734 E735 A739 L740 E741W733-R737 WeakPolarHBondContact O-CB 3.36Å; W733-R737 PolarHBondContact O-N 3.38Å; K734-R737 PolarHBondContact O-N 2.92Å; E735-R737 VanDerWaalsContact C-N 3.3Å; E735-R737 PolarHBondContact O-N 2.91Å; R737-A739 VanDerWaalsContact C-N 3.34Å; R737-L740 PolarHBondContact O-N 2.98Å; R737-E741 PolarHBondContact O-N 3.17Å
738E89.8Confident88.9Confident96 Ų96117.4 Ų117.445%0.44954%0.541SS..Hα-helixtrans-65.2-37.2177.1-74.1175.3-170.300111.9K734 E735 K742K734-E738 WeakPolarHBondContact CE-OE1 3.36Å; K734-E738 WeakPolarHBondContact O-CG 3.44Å; K734-E738 PolarHBondContact O-N 3.38Å; E735-E738 PolarHBondContact O-N 3.34Å; E738-K742 WeakPolarHBondContact O-CB 3.34Å; E738-K742 PolarHBondContact O-N 3.23Å
739A92Very high88.7Confident60 Ų60115.2 Ų115.250%0.49653%0.533SS..Hα-helixtrans-64.7-43.6173.400000112.1E735 K736 R737 K742 E743E735-A739 WeakPolarHBondContact O-CB 3.45Å; E735-A739 PolarHBondContact O-N 3.27Å; K736-A739 PolarHBondContact O-N 3.34Å; R737-A739 VanDerWaalsContact C-N 3.34Å; A739-K742 PolarHBondContact O-N 3.38Å; A739-E743 PolarHBondContact O-N 3.03Å
740L87.1Confident88.4Confident114 Ų114115.9 Ų115.960%0.59754%0.54SS*.Hα-helixtrans-63.3-43.3177.5-129.3156.7000111.6K736 R737 K742 E743 E744K736-L740 WeakPolarHBondContact O-CB 3.38Å; K736-L740 PolarHBondContact O-N 3.24Å; R737-L740 PolarHBondContact O-N 2.98Å; L740-K742 VanDerWaalsContact C-N 3.3Å; L740-K742 PolarHBondContact O-N 3.07Å; L740-E743 PolarHBondContact O-N 2.86Å; L740-E744 WeakPolarHBondContact O-CB 3.45Å; L740-E744 PolarHBondContact O-N 3.22Å
741E87.1Confident88.4Confident89 Ų89116.8 Ų116.842%0.41654%0.542SS..Hα-helixtrans-63.4-37.1176-171.6-172.9166.400111.8R737 K745R737-E741 PolarHBondContact O-N 3.17Å; E741-K745 WeakPolarHBondContact O-CB 3.45Å; E741-K745 WeakPolarHBondContact O-CG 3.37Å; E741-K745 PolarHBondContact O-N 3.46Å; E741-K745 WeakPolarHBondContact OE1-CE 3.37Å; E741-K745 IonicContact OE1-NZ 2.77Å; E741-K745 PolarHBondContact OE1-NZ 3.35Å
742K88.7Confident88.2Confident139 Ų139111.4 Ų111.460%0.60453%0.525SS*.Hα-helixtrans-68.7-44176.5-170.4179.6178.9-176.20111.5E738 A739 L740 E744 K745 D746E738-K742 WeakPolarHBondContact O-CB 3.34Å; E738-K742 PolarHBondContact O-N 3.23Å; A739-K742 PolarHBondContact O-N 3.38Å; L740-K742 VanDerWaalsContact C-N 3.3Å; L740-K742 PolarHBondContact O-N 3.07Å; K742-E744 VanDerWaalsContact C-N 3.34Å; K742-K745 PolarHBondContact O-N 3.35Å; K742-D746 WeakPolarHBondContact O-CB 3.45Å; K742-D746 PolarHBondContact O-N 2.86Å
743E86.8Confident87.8Confident130 Ų130112.5 Ų112.561%0.60753%0.53SS*.Hα-helixtrans-61.7-43.2176.2-169.8173-166.900111.2A739 L740 K745 D746 L747A739-E743 PolarHBondContact O-N 3.03Å; L740-E743 PolarHBondContact O-N 2.86Å; E743-K745 PolarHBondContact O-N 3.09Å; E743-D746 PolarHBondContact O-N 2.66Å; E743-L747 WeakPolarHBondContact O-CB 3.46Å; E743-L747 PolarHBondContact O-N 3.01Å
744E86.9Confident87.8Confident123 Ų123107.9 Ų107.958%0.57552%0.524SS*.Hα-helixtrans-60-46.3175.1-169.3177.6-172.700111.5L740 K742 D746 L747 L748L740-E744 WeakPolarHBondContact O-CB 3.45Å; L740-E744 PolarHBondContact O-N 3.22Å; K742-E744 VanDerWaalsContact C-N 3.34Å; E744-D746 PolarHBondContact O-N 3.48Å; E744-L747 PolarHBondContact O-N 2.79Å; E744-L748 WeakPolarHBondContact O-CB 3.39Å; E744-L748 PolarHBondContact O-N 3.43Å
745K87.2Confident87.5Confident114 Ų114108 Ų10850%0.49653%0.53SS..Hα-helixtrans-62.4-39.4175.5-77.6174.2-173.9164.30113E741 K742 E743 N749E741-K745 WeakPolarHBondContact O-CB 3.45Å; E741-K745 WeakPolarHBondContact O-CG 3.37Å; E741-K745 PolarHBondContact O-N 3.46Å; E741-K745 WeakPolarHBondContact OE1-CE 3.37Å; E741-K745 IonicContact OE1-NZ 2.77Å; E741-K745 PolarHBondContact OE1-NZ 3.35Å; K742-K745 PolarHBondContact O-N 3.35Å; E743-K745 PolarHBondContact O-N 3.09Å; K745-N749 WeakPolarHBondContact O-CB 3.18Å; K745-N749 PolarHBondContact O-N 3.13Å; K745-N749 PolarHBondContact O-ND2 2.79Å
746D88.7Confident87.2Confident78 Ų78107.8 Ų107.842%0.41752%0.523SS..Hα-helixtrans-69.9-37.2179-74.7-17.9000111.5K742 E743 E744 N749 K750K742-D746 WeakPolarHBondContact O-CB 3.45Å; K742-D746 PolarHBondContact O-N 2.86Å; E743-D746 PolarHBondContact O-N 2.66Å; E744-D746 PolarHBondContact O-N 3.48Å; D746-N749 PolarHBondContact O-N 3.2Å; D746-K750 WeakPolarHBondContact O-CG 3.19Å; D746-K750 PolarHBondContact O-N 3.5Å; D746-K750 VanDerWaalsContact O-N 3.1Å
747L88.4Confident87Confident93 Ų93103.7 Ų103.749%0.48752%0.515SS..Hα-helixtrans-65.7-45.7174.4-139.4124.7000110.8E743 E744 N749 K750 E751E743-L747 WeakPolarHBondContact O-CB 3.46Å; E743-L747 PolarHBondContact O-N 3.01Å; E744-L747 PolarHBondContact O-N 2.79Å; L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 2.93Å; L747-K750 PolarHBondContact O-N 3.28Å; L747-E751 PolarHBondContact O-N 3.08Å
748L84.8Confident86.9Confident110 Ų110101.7 Ų101.758%0.57651%0.508SS*.Hα-helixtrans-61.2-38.7176-127.8120.7000112.2E744 E751 A752E744-L748 WeakPolarHBondContact O-CB 3.39Å; E744-L748 PolarHBondContact O-N 3.43Å; L748-E751 PolarHBondContact O-N 3.32Å; L748-A752 WeakPolarHBondContact O-CB 3.48Å; L748-A752 PolarHBondContact O-N 2.86Å
749N85.7Confident86.6Confident70 Ų70100.5 Ų100.537%0.37450%0.504SS..Hα-helixtrans-63-45.2174.8-91.9-39.6000111.5K745 D746 L747 E751 A752 E753 R756K745-N749 WeakPolarHBondContact O-CB 3.18Å; K745-N749 PolarHBondContact O-N 3.13Å; K745-N749 PolarHBondContact O-ND2 2.79Å; D746-N749 PolarHBondContact O-N 3.2Å; L747-N749 VanDerWaalsContact C-N 3.31Å; L747-N749 PolarHBondContact O-N 2.93Å; N749-E751 VanDerWaalsContact C-N 3.34Å; N749-E751 PolarHBondContact O-N 2.76Å; N749-A752 PolarHBondContact O-N 3.18Å; N749-A752 VanDerWaalsContact O-N 3.16Å; N749-E753 PolarHBondContact O-N 3.46Å; N749-E753 VanDerWaalsContact O-OE2 3.14Å; N749-R756 PolarHBondContact OD1-NH1 2.94Å
750K85Confident86.3Confident155 Ų155105.7 Ų105.767%0.67451%0.511SS*.Hα-helixtrans-62.6-39.2176.8-73.2172.5-177.2169.80112.3D746 L747 A752 E753D746-K750 WeakPolarHBondContact O-CG 3.19Å; D746-K750 PolarHBondContact O-N 3.5Å; D746-K750 VanDerWaalsContact O-N 3.1Å; L747-K750 PolarHBondContact O-N 3.28Å; K750-A752 VanDerWaalsContact C-N 3.3Å; K750-E753 VanDerWaalsContact O-CB 3.31Å; K750-E753 WeakPolarHBondContact O-CB 3.41Å; K750-E753 PolarHBondContact O-N 2.91Å
751E85.9Confident86.2Confident139 Ų139107.7 Ų107.765%0.6552%0.515SS*.Hα-helixtrans-68.8-30.2175.7-71.7-175169.600112.3L747 L748 N749 E753 P754L747-E751 PolarHBondContact O-N 3.08Å; L748-E751 PolarHBondContact O-N 3.32Å; N749-E751 VanDerWaalsContact C-N 3.34Å; N749-E751 PolarHBondContact O-N 2.76Å; E751-E753 VanDerWaalsContact C-N 3.32Å; E751-P754 VanDerWaalsContact O-CD 3.24Å; E751-P754 WeakPolarHBondContact O-CD 3.2Å
752A88.2Confident85.9Confident31 Ų31107 Ų10726%0.25651%0.512SS..Hα-helixtrans-79.3-9.6176.500000114.1L748 N749 K750 L755 R756L748-A752 WeakPolarHBondContact O-CB 3.48Å; L748-A752 PolarHBondContact O-N 2.86Å; N749-A752 PolarHBondContact O-N 3.18Å; N749-A752 VanDerWaalsContact O-N 3.16Å; K750-A752 VanDerWaalsContact C-N 3.3Å; A752-L755 PolarHBondContact O-N 3.43Å; A752-R756 WeakPolarHBondContact O-CB 3.46Å; A752-R756 PolarHBondContact O-N 3.26Å
753E84.6Confident85.6Confident99 Ų99103.6 Ų103.646%0.46350%0.5SS..Hα-helixtrans-57.2-45.2-177.5-140.673-151.100113.9N749 K750 E751 R756 A757N749-E753 PolarHBondContact O-N 3.46Å; N749-E753 VanDerWaalsContact O-OE2 3.14Å; K750-E753 VanDerWaalsContact O-CB 3.31Å; K750-E753 WeakPolarHBondContact O-CB 3.41Å; K750-E753 PolarHBondContact O-N 2.91Å; E751-E753 VanDerWaalsContact C-N 3.32Å; E753-R756 PolarHBondContact O-N 2.96Å; E753-A757 WeakPolarHBondContact O-CB 3.37Å; E753-A757 PolarHBondContact O-N 3.34Å
754P85.8Confident85.5Confident92 Ų92102 Ų10260%0.59749%0.493SS*.Hα-helixtrans-64.9-40.9178-17.831.1000112.2E751 A757 Y758E751-P754 VanDerWaalsContact O-CD 3.24Å; E751-P754 WeakPolarHBondContact O-CD 3.2Å; P754-A757 PolarHBondContact O-N 3.31Å; P754-Y758 PolarHBondContact O-N 3.5Å
755L83.9Confident85.4Confident117 Ų11798.9 Ų98.961%0.61348%0.483SS*.Hα-helixtrans-65.8-44.1177.5-169.276.6000110.6A752 A757 Y758 L759A752-L755 PolarHBondContact O-N 3.43Å; L755-A757 VanDerWaalsContact C-N 3.35Å; L755-A757 PolarHBondContact O-N 3.01Å; L755-Y758 PolarHBondContact O-N 2.9Å; L755-L759 HydrophobicContact CG-CD1 4.19Å; L755-L759 WeakPolarHBondContact O-CB 3.33Å; L755-L759 WeakPolarHBondContact O-CG 3.47Å; L755-L759 PolarHBondContact O-N 3.05Å
756R86.4Confident85.3Confident127 Ų12794.6 Ų94.648%0.47947%0.467SS..Hα-helixtrans-61.8-40.5173.6-87.3-178.4158.1158.60.2112.1N749 A752 E753 R760N749-R756 PolarHBondContact OD1-NH1 2.94Å; A752-R756 WeakPolarHBondContact O-CB 3.46Å; A752-R756 PolarHBondContact O-N 3.26Å; E753-R756 PolarHBondContact O-N 2.96Å; R756-R760 VanDerWaalsContact O-CB 3.22Å; R756-R760 WeakPolarHBondContact O-CB 3.44Å; R756-R760 PolarHBondContact O-N 2.91Å
757A86Confident85.1Confident51 Ų5192.9 Ų92.942%0.42146%0.457SS..Hα-helixtrans-64.5-41.9176.600000111.6E753 P754 L755 R760 K761E753-A757 WeakPolarHBondContact O-CB 3.37Å; E753-A757 PolarHBondContact O-N 3.34Å; P754-A757 PolarHBondContact O-N 3.31Å; L755-A757 VanDerWaalsContact C-N 3.35Å; L755-A757 PolarHBondContact O-N 3.01Å; A757-R760 PolarHBondContact O-N 3.31Å; A757-K761 WeakPolarHBondContact O-CB 3.47Å; A757-K761 PolarHBondContact O-N 2.88Å
758Y84.9Confident85Confident109 Ų10991.1 Ų91.143%0.42745%0.453SS..Hα-helixtrans-62.7-49.8174.7-176.3-93.8000111.9P754 L755 R760 K761 H762 I763P754-Y758 PolarHBondContact O-N 3.5Å; L755-Y758 PolarHBondContact O-N 2.9Å; Y758-R760 VanDerWaalsContact C-N 3.3Å; Y758-R760 PolarHBondContact O-N 3.33Å; Y758-K761 PolarHBondContact O-N 2.91Å; Y758-H762 AromaticContact CD2-CD2 3.64Å; Y758-H762 AromaticContact CE2-CD2 3.61Å; Y758-H762 PolarHBondContact O-N 3.24Å; Y758-I763 HydrophobicContact CD1-CD1 4.38Å; Y758-I763 HydrophobicContact CE1-CD1 4.12Å
759L84.5Confident85Confident70 Ų7094 Ų9437%0.36646%0.456SS..Iπ-helixtrans-56.4-44.3175.8-82.1158.2000111.3L755 I763 M764L755-L759 HydrophobicContact CG-CD1 4.19Å; L755-L759 WeakPolarHBondContact O-CB 3.33Å; L755-L759 WeakPolarHBondContact O-CG 3.47Å; L755-L759 PolarHBondContact O-N 3.05Å; L759-I763 HydrophobicContact CD2-CB 4.14Å; L759-I763 HydrophobicContact CD2-CD1 3.51Å; L759-I763 HydrophobicContact CD2-CG1 4.4Å; L759-I763 HydrophobicContact CD2-CG2 4.2Å; L759-I763 HydrophobicContact CG-CD1 4.32Å; L759-I763 PolarHBondContact O-N 3.17Å; L759-I763 VanDerWaalsContact O-N 3.15Å; L759-M764 WeakPolarHBondContact O-CB 3.39Å; L759-M764 PolarHBondContact O-N 3.45Å
760R85.8Confident85Confident170 Ų17090.7 Ų90.764%0.64244%0.439SS*.Iπ-helixtrans-66.3-37.6179.8-164.9-173.5-53.31685.6112.7R756 A757 Y758R756-R760 VanDerWaalsContact O-CB 3.22Å; R756-R760 WeakPolarHBondContact O-CB 3.44Å; R756-R760 PolarHBondContact O-N 2.91Å; A757-R760 PolarHBondContact O-N 3.31Å; Y758-R760 VanDerWaalsContact C-N 3.3Å; Y758-R760 PolarHBondContact O-N 3.33Å
761K84.2Confident85.1Confident155 Ų15587.4 Ų87.467%0.67443%0.428SS*.Iπ-helixtrans-81.1-42.6-176-173177.4177.7-1740113A757 Y758A757-K761 WeakPolarHBondContact O-CB 3.47Å; A757-K761 PolarHBondContact O-N 2.88Å; Y758-K761 PolarHBondContact O-N 2.91Å
762H81.1Confident85.2Confident75 Ų7584.8 Ų84.835%0.34742%0.422SS..Iπ-helixtrans-106.2-45-169-67-75.4000113.3Y758Y758-H762 AromaticContact CD2-CD2 3.64Å; Y758-H762 AromaticContact CE2-CD2 3.61Å; Y758-H762 PolarHBondContact O-N 3.24Å
763I82.7Confident85Confident68 Ų6885.8 Ų85.835%0.34942%0.421SS..Iπ-helixtrans-89-45-170.8-67.9164.6000110.9Y758 L759 V766 L767Y758-I763 HydrophobicContact CD1-CD1 4.38Å; Y758-I763 HydrophobicContact CE1-CD1 4.12Å; L759-I763 HydrophobicContact CD2-CB 4.14Å; L759-I763 HydrophobicContact CD2-CD1 3.51Å; L759-I763 HydrophobicContact CD2-CG1 4.4Å; L759-I763 HydrophobicContact CD2-CG2 4.2Å; L759-I763 HydrophobicContact CG-CD1 4.32Å; L759-I763 PolarHBondContact O-N 3.17Å; L759-I763 VanDerWaalsContact O-N 3.15Å; I763-V766 PolarHBondContact O-N 2.86Å; I763-V766 VanDerWaalsContact O-N 3.16Å; I763-L767 HydrophobicContact CG2-CB 4.48Å; I763-L767 WeakPolarHBondContact O-CB 3.43Å; I763-L767 PolarHBondContact O-N 3.4Å
764M84.4Confident85.1Confident96 Ų9681.6 Ų81.647%0.47340%0.403SS..Hα-helixtrans-63.8-36-170.4-157.65493.800114.6L759 L767 S768L759-M764 WeakPolarHBondContact O-CB 3.39Å; L759-M764 PolarHBondContact O-N 3.45Å; M764-L767 HydrophobicContact SD-CD2 4.1Å; M764-S768 WeakPolarHBondContact O-CB 3.44Å; M764-S768 PolarHBondContact O-N 3.31Å; M764-S768 PolarHBondContact O-OG 2.88Å
765P85Confident85Confident57 Ų5783.6 Ų83.637%0.3741%0.407SS..Hα-helixtrans-65.3-40.9173.6-21.733.8000112.8R769P765-R769 WeakPolarHBondContact O-CG 3.34Å; P765-R769 PolarHBondContact O-N 2.82Å; P765-R769 VanDerWaalsContact O-N 3.08Å
766V84.5Confident85.1Confident24 Ų2487 Ų8715%0.14541%0.412CS..Hα-helixtrans-70.6-44.7179.5-173.30000110I763 R769 G770 L790 N793 P795I763-V766 PolarHBondContact O-N 2.86Å; I763-V766 VanDerWaalsContact O-N 3.16Å; V766-R769 PolarHBondContact O-N 3.16Å; V766-G770 PolarHBondContact O-N 2.83Å; V766-L790 HydrophobicContact CG1-CD2 3.98Å; V766-N793 HydrophobicContact CG1-CB 3.74Å; V766-P795 HydrophobicContact CG2-CG 4.34Å
767L85.5Confident85Confident42 Ų4287.7 Ų87.722%0.2242%0.419CS..Hα-helixtrans-63.2-42.3177-165.776.7000111.8I763 M764 G770 L771 L786 L790I763-L767 HydrophobicContact CG2-CB 4.48Å; I763-L767 WeakPolarHBondContact O-CB 3.43Å; I763-L767 PolarHBondContact O-N 3.4Å; M764-L767 HydrophobicContact SD-CD2 4.1Å; L767-G770 PolarHBondContact O-N 2.87Å; L767-L771 HydrophobicContact CD2-CD1 4.49Å; L767-L771 HydrophobicContact CG-CD1 4.16Å; L767-L771 WeakPolarHBondContact O-CB 3.25Å; L767-L771 PolarHBondContact O-N 2.83Å; L767-L786 HydrophobicContact CD1-CD2 4.07Å; L767-L790 HydrophobicContact CD1-CD1 3.75Å; L767-L790 HydrophobicContact CD1-CD2 3.97Å; L767-L790 HydrophobicContact CD1-CG 4.34Å
768S86Confident84.9Confident57 Ų5795.5 Ų95.540%0.39944%0.437SS..Hα-helixtrans-64.1-42.4176.8-63.20000111.3M764 L771 T772M764-S768 WeakPolarHBondContact O-CB 3.44Å; M764-S768 PolarHBondContact O-N 3.31Å; M764-S768 PolarHBondContact O-OG 2.88Å; S768-L771 PolarHBondContact O-N 3.15Å; S768-T772 WeakPolarHBondContact O-CB 3.32Å; S768-T772 PolarHBondContact O-N 2.99Å; S768-T772 PolarHBondContact O-OG1 3.49Å
769R85.6Confident84.8Confident171 Ų17192.1 Ų92.165%0.64543%0.428SS*.Hα-helixtrans-64-42.8173.7-73.4178-169.6171.23.7111.4P765 V766 T772 E773 Y789P765-R769 WeakPolarHBondContact O-CG 3.34Å; P765-R769 PolarHBondContact O-N 2.82Å; P765-R769 VanDerWaalsContact O-N 3.08Å; V766-R769 PolarHBondContact O-N 3.16Å; R769-T772 WeakPolarHBondContact O-CB 3.2Å; R769-T772 PolarHBondContact O-N 2.89Å; R769-E773 PolarHBondContact O-N 3.33Å; R769-Y789 HydrophobicContact CB-CE1 4.36Å
770G86Confident84.7Confident0 Ų097.2 Ų97.20%046%0.456CS..Hα-helixtrans-62.5-43.3176.900000112.8V766 L767 T772 E773 C774V766-G770 PolarHBondContact O-N 2.83Å; L767-G770 PolarHBondContact O-N 2.87Å; G770-T772 VanDerWaalsContact C-N 3.32Å; G770-T772 PolarHBondContact O-N 3.41Å; G770-E773 PolarHBondContact O-N 2.84Å; G770-C774 WeakPolarHBondContact O-CB 3.36Å; G770-C774 PolarHBondContact O-N 2.87Å
771L87.1Confident84.8Confident86 Ų8693.1 Ų93.145%0.4545%0.447SS..Hα-helixtrans-63.6-39173.3-85.6159.3000111.7L767 S768 C774 L775 L786L767-L771 HydrophobicContact CD2-CD1 4.49Å; L767-L771 HydrophobicContact CG-CD1 4.16Å; L767-L771 WeakPolarHBondContact O-CB 3.25Å; L767-L771 PolarHBondContact O-N 2.83Å; S768-L771 PolarHBondContact O-N 3.15Å; L771-C774 PolarHBondContact O-N 3.39Å; L771-L775 WeakPolarHBondContact O-CB 3.21Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.36Å; L771-L786 HydrophobicContact CG-CD1 4.27Å; L771-L786 HydrophobicContact CG-CD2 4.47Å
772T87.4Confident84.8Confident84 Ų8489.3 Ų89.352%0.51544%0.438SS..Hα-helixtrans-66-42.6176.9-50.60000111.1S768 R769 G770 R776S768-T772 WeakPolarHBondContact O-CB 3.32Å; S768-T772 PolarHBondContact O-N 2.99Å; S768-T772 PolarHBondContact O-OG1 3.49Å; R769-T772 WeakPolarHBondContact O-CB 3.2Å; R769-T772 PolarHBondContact O-N 2.89Å; G770-T772 VanDerWaalsContact C-N 3.32Å; G770-T772 PolarHBondContact O-N 3.41Å; T772-R776 WeakPolarHBondContact O-CB 3.32Å; T772-R776 PolarHBondContact O-N 3.19Å; T772-R776 VanDerWaalsContact O-N 3.08Å
773E84Confident85Confident51 Ų5192.4 Ų92.424%0.23846%0.456CS..Hα-helixtrans-70.5-35175.5-80.6-60.9131.300112.6R769 G770 R776 K777 F785 Y789R769-E773 PolarHBondContact O-N 3.33Å; G770-E773 PolarHBondContact O-N 2.84Å; E773-R776 WeakPolarHBondContact O-CB 3.33Å; E773-R776 PolarHBondContact O-N 3.16Å; E773-R776 VanDerWaalsContact O-N 3.11Å; E773-R776 IonicContact OE1-NH1 3.21Å; E773-R776 PolarHBondContact OE1-NH1 3.47Å; E773-R776 VanDerWaalsContact OE1-NH1 3.13Å; E773-K777 PolarHBondContact O-N 3.43Å; E773-F785 HydrophobicContact CB-CE1 4.3Å; E773-F785 HydrophobicContact CB-CZ 4.47Å; E773-Y789 HydrophobicContact CB-CD2 4.28Å; E773-Y789 HydrophobicContact CB-CE2 3.85Å; E773-Y789 HydrophobicContact CG-CE2 3.83Å
774C86.1Confident85.1Confident12 Ų1294.4 Ų94.48%0.08147%0.468CS..Hα-helixtrans-64.9-43.2174.9-164.40000110.8G770 L771 R776 R778 P779 P782 F785G770-C774 WeakPolarHBondContact O-CB 3.36Å; G770-C774 PolarHBondContact O-N 2.87Å; L771-C774 PolarHBondContact O-N 3.39Å; C774-R776 PolarHBondContact O-N 2.97Å; C774-R778 PolarHBondContact O-N 2.96Å; C774-P779 WeakPolarHBondContact O-CD 3.4Å; C774-P782 VanDerWaalsContact SG-CA 3.56Å; C774-P782 VanDerWaalsContact SG-CB 3.53Å; C774-P782 PolarHBondContact SG-O 3.3Å; C774-F785 HydrophobicContact CB-CD1 3.66Å; C774-F785 HydrophobicContact CB-CE1 3.87Å
775L84.9Confident85.2Confident134 Ų13491.5 Ų91.570%0.70245%0.453SS*.Hα-helixtrans-62.2-30.6171.7-79.8164.9000112.8L771L771-L775 WeakPolarHBondContact O-CB 3.21Å; L771-L775 WeakPolarHBondContact O-CG 3.44Å; L771-L775 PolarHBondContact O-N 3.36Å
776R86.1Confident85.3Confident187 Ų18790.2 Ų90.271%0.70644%0.443SS*.Hα-helixtrans-78.6-44.2-178.6-155-176.3-139.1142.73.9112.8T772 E773 C774T772-R776 WeakPolarHBondContact O-CB 3.32Å; T772-R776 PolarHBondContact O-N 3.19Å; T772-R776 VanDerWaalsContact O-N 3.08Å; E773-R776 WeakPolarHBondContact O-CB 3.33Å; E773-R776 PolarHBondContact O-N 3.16Å; E773-R776 VanDerWaalsContact O-N 3.11Å; E773-R776 IonicContact OE1-NH1 3.21Å; E773-R776 PolarHBondContact OE1-NH1 3.47Å; E773-R776 VanDerWaalsContact OE1-NH1 3.13Å; C774-R776 PolarHBondContact O-N 2.97Å
777K82.9Confident85.3Confident142 Ų14291.1 Ų91.162%0.61745%0.452SS*.Hα-helixtrans-82.5-23.6-179.5-75.2-161.7-178.81800113.8E773 F785E773-K777 PolarHBondContact O-N 3.43Å; K777-F785 HydrophobicContact CB-CZ 4.41Å; K777-F785 HydrophobicContact CD-CE2 3.75Å; K777-F785 HydrophobicContact CD-CZ 3.86Å; K777-F785 HydrophobicContact CG-CZ 4.39Å
778R84.1Confident85.2Confident215 Ų21595.4 Ų95.481%0.81147%0.471SS*.  trans42.760.1-172.4-69.9-171.6174.7179.8-2.6112.4C774C774-R778 PolarHBondContact O-N 2.96Å
779P83Confident85.1Confident38 Ų3895 Ų9525%0.24746%0.462CS..  trans-63.7153.8174.330.4-35.5000110.8C774 D781 F785C774-P779 WeakPolarHBondContact O-CD 3.4Å; P779-D781 VanDerWaalsContact C-N 3.27Å; P779-D781 PolarHBondContact O-N 3.1Å; P779-F785 HydrophobicContact CB-CB 3.85Å; P779-F785 HydrophobicContact CB-CD2 4.19Å; P779-F785 HydrophobicContact CB-CG 4.09Å; P779-F785 HydrophobicContact CG-CB 3.42Å; P779-F785 VanDerWaalsContact CG-CB 3.42Å; P779-F785 HydrophobicContact CG-CD1 3.99Å; P779-F785 HydrophobicContact CG-CD2 4.08Å; P779-F785 HydrophobicContact CG-CG 3.56Å
780D83.2Confident85Confident178 Ų17889.5 Ų89.595%0.95245%0.445SS*.SBendtrans-62-35179.2-69.2-38.5000112.3
781D86.7Confident84.9Confident83 Ų8397.1 Ų97.144%0.44448%0.478SS..  trans-115.398.8170.2-162.2-29.2000110.8P779 L783 D784 F785P779-D781 VanDerWaalsContact C-N 3.27Å; P779-D781 PolarHBondContact O-N 3.1Å; D781-L783 PolarHBondContact O-N 3.17Å; D781-L783 WeakPolarHBondContact OD1-CB 3.44Å; D781-L783 PolarHBondContact OD1-N 3.26Å; D781-D784 HydrophobicContact CB-CB 3.94Å; D781-D784 PolarHBondContact OD1-N 3.39Å; D781-F785 WeakPolarHBondContact O-CB 3.49Å; D781-F785 PolarHBondContact O-N 3.45Å; D781-F785 VanDerWaalsContact O-N 3.07Å
782P84.2Confident84.6Confident75 Ų75103.1 Ų103.149%0.48750%0.496SS..Hα-helixtrans-68.2-22.8-179.926.8-33.2000113.1C774 L786C774-P782 VanDerWaalsContact SG-CA 3.56Å; C774-P782 VanDerWaalsContact SG-CB 3.53Å; C774-P782 PolarHBondContact SG-O 3.3Å; P782-L786 WeakPolarHBondContact O-CB 3.22Å; P782-L786 PolarHBondContact O-N 3.09Å; P782-L786 VanDerWaalsContact O-N 3.09Å
783L85.3Confident84.2Confident140 Ų140102.7 Ų102.773%0.73349%0.491SS*.Hα-helixtrans-76.3-47.2179-113.9147.7000110.1D781 L786 A787D781-L783 PolarHBondContact O-N 3.17Å; D781-L783 WeakPolarHBondContact OD1-CB 3.44Å; D781-L783 PolarHBondContact OD1-N 3.26Å; L783-L786 PolarHBondContact O-N 2.89Å; L783-A787 WeakPolarHBondContact O-CB 3.43Å; L783-A787 PolarHBondContact O-N 2.99Å
784D85.9Confident83.5Confident111 Ų111103.5 Ų103.559%0.59450%0.497SS*.Hα-helixtrans-65.7-42.1177.9-124.714.5000111.3D781 L786 A787 E788D781-D784 HydrophobicContact CB-CB 3.94Å; D781-D784 PolarHBondContact OD1-N 3.39Å; D784-L786 PolarHBondContact O-N 2.87Å; D784-A787 PolarHBondContact O-N 3.47Å; D784-E788 PolarHBondContact O-N 3.25Å
785F86.4Confident82.6Confident34 Ų34107.4 Ų107.415%0.14952%0.522CS..Hα-helixtrans-62.3-42.1174178.6-92.6000112.7E773 C774 K777 P779 D781 A787 Y789E773-F785 HydrophobicContact CB-CE1 4.3Å; E773-F785 HydrophobicContact CB-CZ 4.47Å; C774-F785 HydrophobicContact CB-CD1 3.66Å; C774-F785 HydrophobicContact CB-CE1 3.87Å; K777-F785 HydrophobicContact CB-CZ 4.41Å; K777-F785 HydrophobicContact CD-CE2 3.75Å; K777-F785 HydrophobicContact CD-CZ 3.86Å; K777-F785 HydrophobicContact CG-CZ 4.39Å; P779-F785 HydrophobicContact CB-CB 3.85Å; P779-F785 HydrophobicContact CB-CD2 4.19Å; P779-F785 HydrophobicContact CB-CG 4.09Å; P779-F785 HydrophobicContact CG-CB 3.42Å; P779-F785 VanDerWaalsContact CG-CB 3.42Å; P779-F785 HydrophobicContact CG-CD1 3.99Å; P779-F785 HydrophobicContact CG-CD2 4.08Å; P779-F785 HydrophobicContact CG-CG 3.56Å; D781-F785 WeakPolarHBondContact O-CB 3.49Å; D781-F785 PolarHBondContact O-N 3.45Å; D781-F785 VanDerWaalsContact O-N 3.07Å; F785-A787 VanDerWaalsContact C-N 3.33Å; F785-Y789 HydrophobicContact CE1-CD2 4.45Å; F785-Y789 HydrophobicContact CZ-CD2 4.47Å; F785-Y789 VanDerWaalsContact O-CB 3.25Å; F785-Y789 WeakPolarHBondContact O-CB 3.45Å; F785-Y789 PolarHBondContact O-N 3.45Å
786L85.6Confident81.8Confident31 Ų31107.9 Ų107.916%0.16252%0.521CS..Hα-helixtrans-67.9-36.4177.7-168.573.2000110.9L767 L771 P782 L783 D784 Y789 L790L767-L786 HydrophobicContact CD1-CD2 4.07Å; L771-L786 HydrophobicContact CG-CD1 4.27Å; L771-L786 HydrophobicContact CG-CD2 4.47Å; P782-L786 WeakPolarHBondContact O-CB 3.22Å; P782-L786 PolarHBondContact O-N 3.09Å; P782-L786 VanDerWaalsContact O-N 3.09Å; L783-L786 PolarHBondContact O-N 2.89Å; D784-L786 PolarHBondContact O-N 2.87Å; L786-Y789 PolarHBondContact O-N 3.36Å; L786-L790 HydrophobicContact CG-CD1 4.16Å; L786-L790 WeakPolarHBondContact O-CB 3.33Å; L786-L790 WeakPolarHBondContact O-CG 3.34Å; L786-L790 PolarHBondContact O-N 2.93Å
787A85.1Confident80.5Confident42 Ų42103.6 Ų103.635%0.34752%0.515SS..Hα-helixtrans-64.1-48.117500000111.5L783 D784 F785 Y789 L790 F791L783-A787 WeakPolarHBondContact O-CB 3.43Å; L783-A787 PolarHBondContact O-N 2.99Å; D784-A787 PolarHBondContact O-N 3.47Å; F785-A787 VanDerWaalsContact C-N 3.33Å; A787-Y789 VanDerWaalsContact C-N 3.34Å; A787-Y789 PolarHBondContact O-N 3.23Å; A787-L790 PolarHBondContact O-N 3.14Å; A787-F791 WeakPolarHBondContact O-CB 3.31Å; A787-F791 PolarHBondContact O-N 2.95Å
788E83.2Confident78.7Confident133 Ų133108.1 Ų108.162%0.62155%0.546SS*.Hα-helixtrans-59.7-44172.7-82.4-166.2156.200111.6D784 L790 F791 Y792D784-E788 PolarHBondContact O-N 3.25Å; E788-L790 VanDerWaalsContact C-N 3.35Å; E788-L790 PolarHBondContact O-N 2.91Å; E788-F791 PolarHBondContact O-N 3.37Å; E788-Y792 WeakPolarHBondContact O-CB 3.33Å; E788-Y792 PolarHBondContact O-N 2.93Å
789Y84.2Confident78.5Confident49 Ų49102.8 Ų102.819%0.19253%0.533CS..Hα-helixtrans-62.9-41.4179.6-171-82.2000112.1R769 E773 F785 L786 A787 N793R769-Y789 HydrophobicContact CB-CE1 4.36Å; E773-Y789 HydrophobicContact CB-CD2 4.28Å; E773-Y789 HydrophobicContact CB-CE2 3.85Å; E773-Y789 HydrophobicContact CG-CE2 3.83Å; F785-Y789 HydrophobicContact CE1-CD2 4.45Å; F785-Y789 HydrophobicContact CZ-CD2 4.47Å; F785-Y789 VanDerWaalsContact O-CB 3.25Å; F785-Y789 WeakPolarHBondContact O-CB 3.45Å; F785-Y789 PolarHBondContact O-N 3.45Å; L786-Y789 PolarHBondContact O-N 3.36Å; A787-Y789 VanDerWaalsContact C-N 3.34Å; A787-Y789 PolarHBondContact O-N 3.23Å; Y789-N793 WeakPolarHBondContact CD1-ND2 3.44Å; Y789-N793 HydrophobicContact CE1-CB 4.3Å; Y789-N793 WeakPolarHBondContact CE1-ND2 3.38Å; Y789-N793 VanDerWaalsContact CZ-ND2 3.28Å; Y789-N793 WeakPolarHBondContact O-CB 3.36Å; Y789-N793 PolarHBondContact O-N 3.44Å; Y789-N793 PolarHBondContact O-ND2 2.99Å
790L83.5Confident78.2Confident55 Ų55106.2 Ų106.229%0.28855%0.548SS..Hα-helixtrans-67.9-39.6175.8-75.3167.8000111.5V766 L767 L786 A787 E788 N794V766-L790 HydrophobicContact CG1-CD2 3.98Å; L767-L790 HydrophobicContact CD1-CD1 3.75Å; L767-L790 HydrophobicContact CD1-CD2 3.97Å; L767-L790 HydrophobicContact CD1-CG 4.34Å; L786-L790 HydrophobicContact CG-CD1 4.16Å; L786-L790 WeakPolarHBondContact O-CB 3.33Å; L786-L790 WeakPolarHBondContact O-CG 3.34Å; L786-L790 PolarHBondContact O-N 2.93Å; A787-L790 PolarHBondContact O-N 3.14Å; E788-L790 VanDerWaalsContact C-N 3.35Å; E788-L790 PolarHBondContact O-N 2.91Å; L790-N794 WeakPolarHBondContact O-CB 3.46Å; L790-N794 PolarHBondContact O-N 3.32Å; L790-N794 VanDerWaalsContact O-N 3.14Å
791F83.9Confident78Confident160 Ų160102.2 Ų102.270%0.70253%0.525SS*.Hα-helixtrans-62.5-43.7174.6-108.3-82.8000111.7A787 E788A787-F791 WeakPolarHBondContact O-CB 3.31Å; A787-F791 PolarHBondContact O-N 2.95Å; E788-F791 PolarHBondContact O-N 3.37Å
792Y80.7Confident77.4Confident211 Ų211103.4 Ų103.483%0.82753%0.53SS*.Hα-helixtrans-72.3-31-179.8-109.9-78.8000114.1E788E788-Y792 WeakPolarHBondContact O-CB 3.33Å; E788-Y792 PolarHBondContact O-N 2.93Å
793N78.6Confident77Confident75 Ų75105.1 Ų105.140%0.40153%0.533SS..THydrogen-bonded Turntrans-103.821.2-179.1-67.4-79.4000112.9V766 Y789 P795V766-N793 HydrophobicContact CG1-CB 3.74Å; Y789-N793 WeakPolarHBondContact CD1-ND2 3.44Å; Y789-N793 HydrophobicContact CE1-CB 4.3Å; Y789-N793 WeakPolarHBondContact CE1-ND2 3.38Å; Y789-N793 VanDerWaalsContact CZ-ND2 3.28Å; Y789-N793 WeakPolarHBondContact O-CB 3.36Å; Y789-N793 PolarHBondContact O-N 3.44Å; Y789-N793 PolarHBondContact O-ND2 2.99Å; N793-P795 WeakPolarHBondContact O-CD 3.24Å
794N70.8Confident76.5Confident68 Ų68102.8 Ų102.836%0.36452%0.519SS..  trans-69.7120.6180-167.4-0.5000109.6L790 Q796 V797L790-N794 WeakPolarHBondContact O-CB 3.46Å; L790-N794 PolarHBondContact O-N 3.32Å; L790-N794 VanDerWaalsContact O-N 3.14Å; N794-Q796 PolarHBondContact O-N 3.21Å; N794-V797 HydrophobicContact CB-CB 4.44Å; N794-V797 HydrophobicContact CB-CG2 3.74Å; N794-V797 PolarHBondContact O-N 2.92Å
795P65.5Low75.8Confident94 Ų94102.2 Ų102.261%0.6151%0.514SS*.THydrogen-bonded Turntrans-63.6-4.6-177.5-19.630.5000115.3V766 N793V766-P795 HydrophobicContact CG2-CG 4.34Å; N793-P795 WeakPolarHBondContact O-CD 3.24Å
796Q68.5Low75Confident145 Ų145107.5 Ų107.568%0.67854%0.542SS*.THydrogen-bonded Turntrans-111.81.3-177-64.2-173.8-9.100113.6N794 D798N794-Q796 PolarHBondContact O-N 3.21Å; Q796-D798 PolarHBondContact O-N 3.43Å
797V60.1Low74.1Confident96 Ų96113.8 Ų113.858%0.58257%0.574SS**  trans-99.581.7178.3-173.60000108.5N794N794-V797 HydrophobicContact CB-CB 4.44Å; N794-V797 HydrophobicContact CB-CG2 3.74Å; N794-V797 PolarHBondContact O-N 2.92Å
798D45.1Very low73.1Confident238 Ų238120.4 Ų120.4100%1.27359%0.594SS**  trans-131.20150.1-103.7-17.4000107.3Q796Q796-D798 PolarHBondContact O-N 3.43Å

Retrieved 798 of 798 residues in 645.1 ms (Link to these results)

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