A0A087WNM1_MOUSE Loading...

SLIT-ROBO Rho GTPase-activating protein 2

AlphaFold DB , UniProt , Accession A0A087WNM1, Species MOUSE (Mus musculus, Mouse), Gene Srgap2, Length 858 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
1M31.6Very low59.4Low248 Ų248136.9 Ų136.9100%1.22272%0.723SS**  0121.50-66-177.6178.500108.4S3M1-S3 PolarHBondContact O-N 3.12Å
2T34Very low61.5Low146 Ų146131.7 Ų131.790%0.89669%0.691SS**  trans-83.8109.8175.635.80000109.6
3S33.2Very low63.4Low106 Ų106124.9 Ų124.974%0.74166%0.655SS**PPolyproline II helixtrans-58139.3167-169.20000109.1M1 A5M1-S3 PolarHBondContact O-N 3.12Å; S3-A5 PolarHBondContact O-N 3.29Å
4P43.4Very low65.1Low114 Ų114117.4 Ų117.474%0.7462%0.616SS**PPolyproline II helixtrans-57.2126.6179.623.2-33.5000110K6P4-K6 PolarHBondContact O-N 3.08Å; P4-K6 VanDerWaalsContact O-N 3.11Å
5A55.3Low66.6Low102 Ų102112.9 Ų112.984%0.84360%0.602SS**PPolyproline II helixtrans-56.6118.9-176.100000110.5S3 F7S3-A5 PolarHBondContact O-N 3.29Å; A5-F7 PolarHBondContact O-N 3.21Å
6K66.9Low68Low151 Ų151111.3 Ų111.366%0.65759%0.59SS**PPolyproline II helixtrans-57.1129.4-180-74-174.5175.4-176.20110P4 K8P4-K6 PolarHBondContact O-N 3.08Å; P4-K6 VanDerWaalsContact O-N 3.11Å; K6-K8 VanDerWaalsContact C-N 3.27Å; K6-K8 HydrophobicContact CB-CG 3.91Å; K6-K8 PolarHBondContact O-N 2.91Å
7F73.3Confident69.4Low172 Ų172106.3 Ų106.375%0.75456%0.561SS**  trans-74.583.8168.4-176.8-94.6000109.4A5 K9A5-F7 PolarHBondContact O-N 3.21Å; F7-K9 HydrophobicContact CE1-CG 4.31Å
8K79.6Confident70.6Confident72 Ų72103.7 Ų103.731%0.31355%0.548SS..  trans-80.1145.4-179.6-61.7-171165.6-1800111.5K6 E12 I13 E16K6-K8 VanDerWaalsContact C-N 3.27Å; K6-K8 HydrophobicContact CB-CG 3.91Å; K6-K8 PolarHBondContact O-N 2.91Å; K8-E12 HydrophobicContact CD-CG 4.45Å; K8-E12 HydrophobicContact CG-CG 4.44Å; K8-I13 HydrophobicContact CB-CD1 3.9Å; K8-I13 HydrophobicContact CB-CG1 3.62Å; K8-I13 HydrophobicContact CD-CG1 4.06Å; K8-I13 HydrophobicContact CG-CG1 4.49Å; K8-E16 WeakPolarHBondContact CE-OE1 3.42Å; K8-E16 IonicContact NZ-OE1 2.63Å; K8-E16 PolarHBondContact NZ-OE1 2.92Å; K8-E16 IonicContact NZ-OE2 3.46Å; K8-E16 PolarHBondContact NZ-OE2 3.31Å
9K78.6Confident71.8Confident149 Ų149102.1 Ų102.165%0.64854%0.542SS*.  trans-106.4161.5170.5-69.1-177.7-179.5175.60110.2F7 K11 E12 I13F7-K9 HydrophobicContact CE1-CG 4.31Å; K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 3.08Å; K9-K11 VanDerWaalsContact O-N 3.12Å; K9-E12 WeakPolarHBondContact O-CB 3.45Å; K9-E12 PolarHBondContact O-N 2.68Å; K9-I13 PolarHBondContact O-N 2.94Å
10D78.7Confident72.8Confident65 Ų65102.5 Ų102.535%0.34854%0.541SS..Hα-helixtrans-36.1-55.5177.8177.563000113.7E12 I13 I14 H168D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 3.47Å; D10-I13 PolarHBondContact O-N 3.39Å; D10-I14 VanDerWaalsContact O-CB 3.26Å; D10-I14 WeakPolarHBondContact O-CB 3.41Å; D10-I14 WeakPolarHBondContact O-CG1 3.25Å; D10-I14 PolarHBondContact O-N 3.14Å; D10-H168 HydrophobicContact CB-CB 4.1Å; D10-H168 IonicContact OD1-CE1 2.66Å; D10-H168 IonicContact OD1-CG 2.61Å; D10-H168 IonicContact OD1-ND1 2.63Å; D10-H168 PolarHBondContact OD1-ND1 3.43Å
11K79.3Confident73.8Confident181 Ų18198 Ų9879%0.78752%0.518SS*.Hα-helixtrans-57.3-32.8179.5-69-167.3174.7-168.80115.6K9 A15K9-K11 VanDerWaalsContact C-N 3.3Å; K9-K11 PolarHBondContact O-N 3.08Å; K9-K11 VanDerWaalsContact O-N 3.12Å; K11-A15 VanDerWaalsContact O-CB 3.24Å; K11-A15 WeakPolarHBondContact O-CB 3.48Å; K11-A15 PolarHBondContact O-N 3.06Å
12E84.6Confident76.8Confident74 Ų7491.9 Ų91.935%0.34648%0.484SS..Hα-helixtrans-77.4-48.2-179.2-172-178.2170.200110.1K8 K9 D10 I14 A15 E16K8-E12 HydrophobicContact CD-CG 4.45Å; K8-E12 HydrophobicContact CG-CG 4.44Å; K9-E12 WeakPolarHBondContact O-CB 3.45Å; K9-E12 PolarHBondContact O-N 2.68Å; D10-E12 VanDerWaalsContact C-N 3.3Å; D10-E12 PolarHBondContact O-N 3.47Å; E12-I14 PolarHBondContact O-N 2.95Å; E12-A15 PolarHBondContact O-N 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.47Å; E12-E16 PolarHBondContact O-N 3.16Å
13I85.3Confident79.7Confident44 Ų4490.8 Ų90.823%0.22647%0.469CS..Hα-helixtrans-63.6-42.8179.5-54.8172.7000110.6K8 K9 D10 Y17 M164K8-I13 HydrophobicContact CB-CD1 3.9Å; K8-I13 HydrophobicContact CB-CG1 3.62Å; K8-I13 HydrophobicContact CD-CG1 4.06Å; K8-I13 HydrophobicContact CG-CG1 4.49Å; K9-I13 PolarHBondContact O-N 2.94Å; D10-I13 PolarHBondContact O-N 3.39Å; I13-Y17 WeakPolarHBondContact O-CB 3.16Å; I13-Y17 PolarHBondContact O-N 3.47Å; I13-M164 HydrophobicContact CG2-CE 4Å
14I88.1Confident82.6Confident19 Ų1986.7 Ų86.710%0.09744%0.439CS..Hα-helixtrans-67-36.4178.9-68.1-74.8000111.6D10 E12 D18 Y161 M164D10-I14 VanDerWaalsContact O-CB 3.26Å; D10-I14 WeakPolarHBondContact O-CB 3.41Å; D10-I14 WeakPolarHBondContact O-CG1 3.25Å; D10-I14 PolarHBondContact O-N 3.14Å; E12-I14 PolarHBondContact O-N 2.95Å; I14-D18 VanDerWaalsContact O-CB 3.25Å; I14-D18 WeakPolarHBondContact O-CB 3.32Å; I14-D18 PolarHBondContact O-N 2.95Å; I14-Y161 HydrophobicContact CD1-CD2 4.16Å; I14-Y161 HydrophobicContact CD1-CE2 4.1Å; I14-Y161 HydrophobicContact CG2-CD2 4.26Å; I14-Y161 HydrophobicContact CG2-CE2 3.44Å; I14-Y161 VanDerWaalsContact CG2-CE2 3.44Å; I14-M164 HydrophobicContact CD1-CB 4.42Å; I14-M164 HydrophobicContact CD1-CE 3.86Å
15A87.1Confident85Confident50 Ų5087.3 Ų87.341%0.41343%0.426SS..Hα-helixtrans-72.3-39.3177.800000112.7K11 E12 Y17 T19K11-A15 VanDerWaalsContact O-CB 3.24Å; K11-A15 WeakPolarHBondContact O-CB 3.48Å; K11-A15 PolarHBondContact O-N 3.06Å; E12-A15 PolarHBondContact O-N 3.26Å; A15-Y17 VanDerWaalsContact C-N 3.35Å; A15-T19 PolarHBondContact O-N 3.36Å; A15-T19 VanDerWaalsContact O-N 3.08Å; A15-T19 PolarHBondContact O-OG1 3.2Å
16E89.5Confident87Confident87 Ų8785.1 Ų85.141%0.40741%0.408SS..Hα-helixtrans-61-45171.8-70.9172.7152.700110.9K8 E12 T19 Q20K8-E16 WeakPolarHBondContact CE-OE1 3.42Å; K8-E16 IonicContact NZ-OE1 2.63Å; K8-E16 PolarHBondContact NZ-OE1 2.92Å; K8-E16 IonicContact NZ-OE2 3.46Å; K8-E16 PolarHBondContact NZ-OE2 3.31Å; E12-E16 WeakPolarHBondContact O-CG 3.47Å; E12-E16 PolarHBondContact O-N 3.16Å; E16-T19 WeakPolarHBondContact O-CB 3.25Å; E16-T19 PolarHBondContact O-N 2.97Å; E16-Q20 PolarHBondContact O-N 2.88Å
17Y91.2Very high88.3Confident27 Ų2781.9 Ų81.911%0.10640%0.395CS..Hα-helixtrans-65.7-46178.4-175.5-107000113.2I13 A15 T19 Q20 V21 L157 L160 Y161 M164I13-Y17 WeakPolarHBondContact O-CB 3.16Å; I13-Y17 PolarHBondContact O-N 3.47Å; A15-Y17 VanDerWaalsContact C-N 3.35Å; Y17-T19 PolarHBondContact O-N 3.49Å; Y17-Q20 PolarHBondContact O-N 3.44Å; Y17-Q20 VanDerWaalsContact O-N 3.14Å; Y17-V21 HydrophobicContact CD1-CG2 4.08Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 4.07Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 3.05Å; Y17-L157 WeakPolarHBondContact OH-CA 3.23Å; Y17-L157 WeakPolarHBondContact OH-CD2 3.42Å; Y17-L157 PolarHBondContact OH-O 3.08Å; Y17-L160 HydrophobicContact CE2-CD2 3.88Å; Y17-Y161 HydrophobicContact CD1-CD2 4.38Å; Y17-M164 HydrophobicContact CD1-CE 4.14Å; Y17-M164 HydrophobicContact CD1-SD 4.36Å; Y17-M164 HydrophobicContact CD2-SD 4.35Å; Y17-M164 HydrophobicContact CG-CE 3.91Å; Y17-M164 HydrophobicContact CG-SD 4.21Å
18D91.2Very high89.4Confident60 Ų6073.9 Ų73.932%0.32136%0.36SS..Hα-helixtrans-61.2-31176.3174.768.2000112.4I14 K22I14-D18 VanDerWaalsContact O-CB 3.25Å; I14-D18 WeakPolarHBondContact O-CB 3.32Å; I14-D18 PolarHBondContact O-N 2.95Å; D18-K22 WeakPolarHBondContact O-CB 3.23Å; D18-K22 WeakPolarHBondContact O-CD 3.35Å; D18-K22 VanDerWaalsContact O-CG 3.27Å; D18-K22 WeakPolarHBondContact O-CG 3.33Å; D18-K22 PolarHBondContact O-N 3.27Å; D18-K22 VanDerWaalsContact O-N 3.08Å; D18-K22 IonicContact OD1-NZ 2.7Å; D18-K22 VanDerWaalsContact OD2-CE 3.29Å; D18-K22 WeakPolarHBondContact OD2-CE 3.39Å; D18-K22 IonicContact OD2-NZ 2.73Å; D18-K22 PolarHBondContact OD2-NZ 2.86Å
19T93.4Very high90.1Very high72 Ų7273.6 Ų73.644%0.44236%0.364SS..Hα-helixtrans-64.5-50.4172.3-55.10000110.8A15 E16 Y17 V21 K22 E23A15-T19 PolarHBondContact O-N 3.36Å; A15-T19 VanDerWaalsContact O-N 3.08Å; A15-T19 PolarHBondContact O-OG1 3.2Å; E16-T19 WeakPolarHBondContact O-CB 3.25Å; E16-T19 PolarHBondContact O-N 2.97Å; Y17-T19 PolarHBondContact O-N 3.49Å; T19-V21 PolarHBondContact O-N 3.35Å; T19-K22 WeakPolarHBondContact O-CB 3.26Å; T19-K22 PolarHBondContact O-N 3.36Å; T19-K22 VanDerWaalsContact O-N 3.14Å; T19-E23 WeakPolarHBondContact O-CG 3.34Å; T19-E23 PolarHBondContact O-N 3.13Å
20Q91.6Very high90.9Very high111 Ų11171.4 Ų71.452%0.51936%0.357SS..Hα-helixtrans-63-38.5178.5-167.7178.61200112.6E16 Y17 K22 E23 I24E16-Q20 PolarHBondContact O-N 2.88Å; Y17-Q20 PolarHBondContact O-N 3.44Å; Y17-Q20 VanDerWaalsContact O-N 3.14Å; Q20-K22 VanDerWaalsContact C-N 3.32Å; Q20-K22 PolarHBondContact O-N 3.23Å; Q20-E23 PolarHBondContact O-N 3.26Å; Q20-I24 HydrophobicContact CG-CD1 4.4Å; Q20-I24 WeakPolarHBondContact O-CG1 3.37Å; Q20-I24 PolarHBondContact O-N 3.26Å
21V94.1Very high91.6Very high9 Ų969.8 Ų69.86%0.05535%0.347CS..Hα-helixtrans-65.9-33.6175.6173.30000111.9Y17 T19 R25 M154 L157Y17-V21 HydrophobicContact CD1-CG2 4.08Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 4.07Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 3.05Å; T19-V21 PolarHBondContact O-N 3.35Å; V21-R25 WeakPolarHBondContact O-CB 3.16Å; V21-R25 PolarHBondContact O-N 3.47Å; V21-M154 HydrophobicContact CG1-CE 3.87Å; V21-L157 HydrophobicContact CG1-CB 4.47Å; V21-L157 HydrophobicContact CG2-CB 4.25Å; V21-L157 HydrophobicContact CG2-CD2 4.43Å
22K93.8Very high92.2Very high119 Ų11962 Ų6252%0.51731%0.313SS..Hα-helixtrans-69.8-40.4173.3-76.6165.2178.6164.60112.4D18 T19 Q20 R25 A26D18-K22 WeakPolarHBondContact O-CB 3.23Å; D18-K22 WeakPolarHBondContact O-CD 3.35Å; D18-K22 VanDerWaalsContact O-CG 3.27Å; D18-K22 WeakPolarHBondContact O-CG 3.33Å; D18-K22 PolarHBondContact O-N 3.27Å; D18-K22 VanDerWaalsContact O-N 3.08Å; D18-K22 IonicContact OD1-NZ 2.7Å; D18-K22 VanDerWaalsContact OD2-CE 3.29Å; D18-K22 WeakPolarHBondContact OD2-CE 3.39Å; D18-K22 IonicContact OD2-NZ 2.73Å; D18-K22 PolarHBondContact OD2-NZ 2.86Å; T19-K22 WeakPolarHBondContact O-CB 3.26Å; T19-K22 PolarHBondContact O-N 3.36Å; T19-K22 VanDerWaalsContact O-N 3.14Å; Q20-K22 VanDerWaalsContact C-N 3.32Å; Q20-K22 PolarHBondContact O-N 3.23Å; K22-R25 PolarHBondContact O-N 3.41Å; K22-A26 WeakPolarHBondContact O-CB 3.26Å; K22-A26 PolarHBondContact O-N 2.88Å
23E94.8Very high92.6Very high122 Ų12263.6 Ų63.657%0.5732%0.319SS*.Hα-helixtrans-60.5-47.4174.2-71.1168.8-178.400111.2T19 Q20 A26 Q27T19-E23 WeakPolarHBondContact O-CG 3.34Å; T19-E23 PolarHBondContact O-N 3.13Å; Q20-E23 PolarHBondContact O-N 3.26Å; E23-A26 PolarHBondContact O-N 3.5Å; E23-Q27 PolarHBondContact O-N 3.5Å
24I94.8Very high92.9Very high20 Ų2064.6 Ų64.610%0.10333%0.33CS..Hα-helixtrans-57-53.4174.1-68165.2000110.1Q20 A26 Q27 L28 L157Q20-I24 HydrophobicContact CG-CD1 4.4Å; Q20-I24 WeakPolarHBondContact O-CG1 3.37Å; Q20-I24 PolarHBondContact O-N 3.26Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 3.42Å; I24-Q27 WeakPolarHBondContact O-CA 3.4Å; I24-Q27 WeakPolarHBondContact O-CB 3.33Å; I24-Q27 PolarHBondContact O-N 3.49Å; I24-L28 HydrophobicContact CG2-CD1 4.22Å; I24-L28 HydrophobicContact CG2-CG 4.16Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.07Å; I24-L157 HydrophobicContact CD1-CD1 4.12Å; I24-L157 HydrophobicContact CD1-CD2 4.34Å; I24-L157 HydrophobicContact CG2-CD1 3.98Å
25R94.9Very high92.9Very high128 Ų12865.5 Ų65.548%0.48334%0.335SS..Hα-helixtrans-57.3-39.2-179.8-172.6-175-60.9-173.12.3113.2V21 K22 T29 M154V21-R25 WeakPolarHBondContact O-CB 3.16Å; V21-R25 PolarHBondContact O-N 3.47Å; K22-R25 PolarHBondContact O-N 3.41Å; R25-T29 PolarHBondContact O-N 2.82Å; R25-T29 VanDerWaalsContact O-N 3.16Å; R25-T29 PolarHBondContact O-OG1 3.37Å; R25-M154 HydrophobicContact CB-SD 4.16Å; R25-M154 HydrophobicContact CG-SD 4.45Å
26A95.5Very high93Very high55 Ų5565 Ų6546%0.45533%0.325SS..Hα-helixtrans-62.7-46.1174.500000110.8K22 E23 I24 L28 T29 E30K22-A26 WeakPolarHBondContact O-CB 3.26Å; K22-A26 PolarHBondContact O-N 2.88Å; E23-A26 PolarHBondContact O-N 3.5Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 3.42Å; A26-L28 PolarHBondContact O-N 3.17Å; A26-T29 WeakPolarHBondContact O-CB 3.28Å; A26-T29 PolarHBondContact O-N 3.06Å; A26-T29 VanDerWaalsContact O-N 3.16Å; A26-E30 PolarHBondContact O-N 3.18Å
27Q95.6Very high93.1Very high83 Ų8366.3 Ų66.339%0.38833%0.331SS..Hα-helixtrans-62.5-41.1177.3-164.7-177.919.900113E23 I24 T29 E30 Q31 Y268E23-Q27 PolarHBondContact O-N 3.5Å; I24-Q27 WeakPolarHBondContact O-CA 3.4Å; I24-Q27 WeakPolarHBondContact O-CB 3.33Å; I24-Q27 PolarHBondContact O-N 3.49Å; Q27-T29 VanDerWaalsContact C-N 3.25Å; Q27-T29 PolarHBondContact O-N 2.84Å; Q27-E30 PolarHBondContact O-N 3.23Å; Q27-Q31 VanDerWaalsContact O-CG 3.3Å; Q27-Q31 WeakPolarHBondContact O-CG 3.46Å; Q27-Q31 PolarHBondContact O-N 3.47Å; Q27-Y268 VanDerWaalsContact OE1-CE1 3.23Å; Q27-Y268 PolarHBondContact OE1-OH 3.35Å
28L95.3Very high92.9Very high4 Ų469.1 Ų69.12%0.02135%0.345CS..Hα-helixtrans-58.6-38.7174.4-62.2-172.7000111.7I24 A26 Q31 M32 Q150 L153 M154 Y267I24-L28 HydrophobicContact CG2-CD1 4.22Å; I24-L28 HydrophobicContact CG2-CG 4.16Å; I24-L28 WeakPolarHBondContact O-CG 3.48Å; I24-L28 PolarHBondContact O-N 3.07Å; A26-L28 PolarHBondContact O-N 3.17Å; L28-Q31 PolarHBondContact O-N 2.9Å; L28-M32 PolarHBondContact O-N 3.17Å; L28-Q150 HydrophobicContact CB-CG 4.23Å; L28-Q150 HydrophobicContact CD1-CB 4.14Å; L28-Q150 HydrophobicContact CD1-CG 4.18Å; L28-Q150 HydrophobicContact CD2-CG 4.22Å; L28-Q150 HydrophobicContact CG-CG 4.42Å; L28-Q150 PolarHBondContact O-NE2 2.89Å; L28-Q150 PolarHBondContact O-OE1 3.44Å; L28-L153 HydrophobicContact CD1-CD2 4.35Å; L28-L153 HydrophobicContact CD2-CD2 4.27Å; L28-M154 HydrophobicContact CD1-CG 4.01Å; L28-M154 HydrophobicContact CD1-SD 4.07Å; L28-Y267 HydrophobicContact CD2-CD1 4.29Å; L28-Y267 HydrophobicContact CD2-CE1 3.39Å
29T95.1Very high92.6Very high66 Ų6667.2 Ų67.241%0.40534%0.336SS..Hα-helixtrans-66.3-43.3176.8-51.90000111.7R25 A26 Q27 M32 K33R25-T29 PolarHBondContact O-N 2.82Å; R25-T29 VanDerWaalsContact O-N 3.16Å; R25-T29 PolarHBondContact O-OG1 3.37Å; A26-T29 WeakPolarHBondContact O-CB 3.28Å; A26-T29 PolarHBondContact O-N 3.06Å; A26-T29 VanDerWaalsContact O-N 3.16Å; Q27-T29 VanDerWaalsContact C-N 3.25Å; Q27-T29 PolarHBondContact O-N 2.84Å; T29-M32 PolarHBondContact O-N 3.22Å; T29-K33 WeakPolarHBondContact O-CG 3.46Å; T29-K33 PolarHBondContact O-N 2.93Å; T29-K33 VanDerWaalsContact O-N 3.15Å
30E95.9Very high92.5Very high104 Ų10470.4 Ų70.449%0.48635%0.346SS..Hα-helixtrans-70.2-33.6177.2-60.4-48.3119.900112.7A26 Q27 M32 K33 C34A26-E30 PolarHBondContact O-N 3.18Å; Q27-E30 PolarHBondContact O-N 3.23Å; E30-M32 VanDerWaalsContact C-N 3.33Å; E30-M32 PolarHBondContact O-N 2.88Å; E30-K33 PolarHBondContact O-N 3.47Å; E30-K33 IonicContact OE1-NZ 2.74Å; E30-K33 PolarHBondContact OE1-NZ 3.35Å; E30-K33 WeakPolarHBondContact OE2-CD 3.5Å; E30-K33 IonicContact OE2-NZ 2.7Å; E30-K33 PolarHBondContact OE2-NZ 2.94Å; E30-C34 WeakPolarHBondContact O-CB 3.29Å; E30-C34 PolarHBondContact O-N 3.44Å
31Q93.1Very high92.5Very high31 Ų3169.7 Ų69.715%0.14535%0.345CS..Hα-helixtrans-57.9-46.1171.3-74.3167.7-4.900111.1Q27 L28 C34 L35 Y267 L272Q27-Q31 VanDerWaalsContact O-CG 3.3Å; Q27-Q31 WeakPolarHBondContact O-CG 3.46Å; Q27-Q31 PolarHBondContact O-N 3.47Å; L28-Q31 PolarHBondContact O-N 2.9Å; Q31-C34 WeakPolarHBondContact O-CB 3.43Å; Q31-C34 PolarHBondContact O-N 3.04Å; Q31-L35 WeakPolarHBondContact O-CG 3.38Å; Q31-L35 PolarHBondContact O-N 3.1Å; Q31-L35 VanDerWaalsContact O-N 3.14Å; Q31-Y267 PolarHBondContact OE1-OH 3.29Å; Q31-L272 HydrophobicContact CG-CD1 4.04Å
32M90.6Very high92.3Very high16 Ų1671.7 Ų71.78%0.07935%0.352CS..Hα-helixtrans-64.8-43.5179.1-169.860.468.800112.2L28 T29 E30 C34 L35 D36 K143 Q147L28-M32 PolarHBondContact O-N 3.17Å; T29-M32 PolarHBondContact O-N 3.22Å; E30-M32 VanDerWaalsContact C-N 3.33Å; E30-M32 PolarHBondContact O-N 2.88Å; M32-C34 VanDerWaalsContact C-N 3.31Å; M32-C34 PolarHBondContact O-N 3.35Å; M32-L35 PolarHBondContact O-N 3.18Å; M32-D36 PolarHBondContact O-N 2.77Å; M32-K143 HydrophobicContact SD-CD 4.24Å; M32-K143 HydrophobicContact SD-CG 3.78Å; M32-Q147 HydrophobicContact CE-CB 4.44Å
33K92.9Very high92.2Very high108 Ų10868.5 Ų68.547%0.4734%0.342SS..Hα-helixtrans-60-39.6174.5-71.6171.9179.2171.50112.8T29 E30 D36 Q37T29-K33 WeakPolarHBondContact O-CG 3.46Å; T29-K33 PolarHBondContact O-N 2.93Å; T29-K33 VanDerWaalsContact O-N 3.15Å; E30-K33 PolarHBondContact O-N 3.47Å; E30-K33 IonicContact OE1-NZ 2.74Å; E30-K33 PolarHBondContact OE1-NZ 3.35Å; E30-K33 WeakPolarHBondContact OE2-CD 3.5Å; E30-K33 IonicContact OE2-NZ 2.7Å; E30-K33 PolarHBondContact OE2-NZ 2.94Å; K33-D36 PolarHBondContact O-N 3.42Å; K33-Q37 WeakPolarHBondContact O-CB 3.48Å; K33-Q37 PolarHBondContact O-N 2.83Å
34C91.9Very high92.2Very high66 Ų6667.6 Ų67.645%0.44634%0.338SS..Hα-helixtrans-61.7-45.7177.1-173.30000110.8E30 Q31 M32 Q37 Q38E30-C34 WeakPolarHBondContact O-CB 3.29Å; E30-C34 PolarHBondContact O-N 3.44Å; Q31-C34 WeakPolarHBondContact O-CB 3.43Å; Q31-C34 PolarHBondContact O-N 3.04Å; M32-C34 VanDerWaalsContact C-N 3.31Å; M32-C34 PolarHBondContact O-N 3.35Å; C34-Q37 PolarHBondContact O-N 3.01Å; C34-Q38 WeakPolarHBondContact O-CG 3.2Å; C34-Q38 PolarHBondContact O-N 2.94Å
35L87.8Confident92.3Very high38 Ų3870.4 Ų70.420%0.19935%0.353CS..Hα-helixtrans-64.4-41.7177-66.2174.8000112.4Q31 M32 Q38 C39 F139 I276Q31-L35 WeakPolarHBondContact O-CG 3.38Å; Q31-L35 PolarHBondContact O-N 3.1Å; Q31-L35 VanDerWaalsContact O-N 3.14Å; M32-L35 PolarHBondContact O-N 3.18Å; L35-Q38 PolarHBondContact O-N 2.88Å; L35-C39 PolarHBondContact O-N 3.42Å; L35-F139 HydrophobicContact CB-CE2 4.28Å; L35-F139 WeakPolarHBondContact O-CE2 3.49Å; L35-I276 HydrophobicContact CD2-CG1 4.08Å
36D89.3Confident92.3Very high40 Ų4064.3 Ų64.321%0.21433%0.33CS..Hα-helixtrans-55.9-52.1172.2-78.2-33.3000111.4M32 K33 Q38 C39 E40 F139 K143M32-D36 PolarHBondContact O-N 2.77Å; K33-D36 PolarHBondContact O-N 3.42Å; D36-Q38 VanDerWaalsContact C-N 3.35Å; D36-Q38 PolarHBondContact O-N 3.01Å; D36-C39 WeakPolarHBondContact O-CB 3.32Å; D36-C39 PolarHBondContact O-N 2.98Å; D36-C39 VanDerWaalsContact O-N 3.14Å; D36-E40 WeakPolarHBondContact O-CG 3.18Å; D36-E40 PolarHBondContact O-N 3.29Å; D36-F139 HydrophobicContact CB-CZ 4.47Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.47Å; D36-F139 VanDerWaalsContact OD1-CZ 3.22Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.45Å; D36-K143 WeakPolarHBondContact OD1-CE 3.47Å; D36-K143 IonicContact OD1-NZ 3.7Å; D36-K143 PolarHBondContact OD1-NZ 3.34Å; D36-K143 IonicContact OD2-NZ 2.71Å; D36-K143 PolarHBondContact OD2-NZ 2.89Å
37Q91.9Very high92.4Very high113 Ų11365 Ų6553%0.52832%0.324SS..Hα-helixtrans-61.7-39.8179.8-171.9-179.612.700112.6K33 C34 C39 E40 L41K33-Q37 WeakPolarHBondContact O-CB 3.48Å; K33-Q37 PolarHBondContact O-N 2.83Å; C34-Q37 PolarHBondContact O-N 3.01Å; Q37-C39 VanDerWaalsContact C-N 3.32Å; Q37-C39 PolarHBondContact O-N 3.32Å; Q37-E40 PolarHBondContact O-N 3.03Å; Q37-L41 HydrophobicContact CG-CD1 4.35Å; Q37-L41 VanDerWaalsContact O-CG 3.32Å; Q37-L41 WeakPolarHBondContact O-CG 3.24Å; Q37-L41 PolarHBondContact O-N 2.89Å
38Q87Confident92.5Very high87 Ų8765 Ų6541%0.40733%0.326SS..Hα-helixtrans-65.8-34.4176.6-70.6-59.4-41.900112.2C34 L35 D36 R42C34-Q38 WeakPolarHBondContact O-CG 3.2Å; C34-Q38 PolarHBondContact O-N 2.94Å; L35-Q38 PolarHBondContact O-N 2.88Å; D36-Q38 VanDerWaalsContact C-N 3.35Å; D36-Q38 PolarHBondContact O-N 3.01Å; Q38-R42 VanDerWaalsContact O-CG 3.28Å; Q38-R42 WeakPolarHBondContact O-CG 3.42Å; Q38-R42 PolarHBondContact O-N 2.87Å
39C86.1Confident92.6Very high19 Ų1966.3 Ų66.313%0.12833%0.333CS..Hα-helixtrans-67-45.6172.3-174.60000111.9L35 D36 Q37 L41 R42 V43 F139L35-C39 PolarHBondContact O-N 3.42Å; D36-C39 WeakPolarHBondContact O-CB 3.32Å; D36-C39 PolarHBondContact O-N 2.98Å; D36-C39 VanDerWaalsContact O-N 3.14Å; Q37-C39 VanDerWaalsContact C-N 3.32Å; Q37-C39 PolarHBondContact O-N 3.32Å; C39-L41 VanDerWaalsContact C-N 3.32Å; C39-L41 PolarHBondContact O-N 3.3Å; C39-R42 PolarHBondContact O-N 3.15Å; C39-V43 WeakPolarHBondContact O-CG2 3.21Å; C39-V43 PolarHBondContact O-N 2.96Å; C39-F139 HydrophobicContact CB-CB 4.38Å; C39-F139 HydrophobicContact CB-CD1 3.73Å; C39-F139 HydrophobicContact CB-CD2 3.52Å; C39-F139 HydrophobicContact CB-CE1 3.85Å; C39-F139 HydrophobicContact CB-CE2 3.65Å; C39-F139 HydrophobicContact CB-CG 3.57Å; C39-F139 HydrophobicContact CB-CZ 3.83Å; C39-F139 VanDerWaalsContact SG-CB 3.53Å; C39-F139 WeakPolarHBondContact SG-CD1 3.32Å; C39-F139 WeakPolarHBondContact SG-CG 3.19Å
40E90.2Very high92.8Very high139 Ų13963.8 Ų63.865%0.6532%0.317SS*.Hα-helixtrans-57.5-45.1178.2-71175.1174.200111.3D36 Q37 R42 V43 Q44D36-E40 WeakPolarHBondContact O-CG 3.18Å; D36-E40 PolarHBondContact O-N 3.29Å; Q37-E40 PolarHBondContact O-N 3.03Å; E40-R42 PolarHBondContact O-N 3.15Å; E40-V43 PolarHBondContact O-N 3.03Å; E40-Q44 WeakPolarHBondContact O-CB 3.39Å; E40-Q44 PolarHBondContact O-N 3.29Å
41L92.3Very high92.9Very high96 Ų9661.8 Ų61.850%0.50331%0.31SS..Hα-helixtrans-62.1-38.8176.3-70.1171.6000113Q37 C39 L45Q37-L41 HydrophobicContact CG-CD1 4.35Å; Q37-L41 VanDerWaalsContact O-CG 3.32Å; Q37-L41 WeakPolarHBondContact O-CG 3.24Å; Q37-L41 PolarHBondContact O-N 2.89Å; C39-L41 VanDerWaalsContact C-N 3.32Å; C39-L41 PolarHBondContact O-N 3.3Å; L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 PolarHBondContact O-N 3.15Å
42R90.3Very high93.2Very high51 Ų5165.8 Ų65.819%0.19233%0.326CS..Hα-helixtrans-69.2-42.3177-72.1169.5-178.2-167.2-3112.1Q38 C39 E40 L45 L46 C280 D281 Y284Q38-R42 VanDerWaalsContact O-CG 3.28Å; Q38-R42 WeakPolarHBondContact O-CG 3.42Å; Q38-R42 PolarHBondContact O-N 2.87Å; C39-R42 PolarHBondContact O-N 3.15Å; E40-R42 PolarHBondContact O-N 3.15Å; R42-L45 PolarHBondContact O-N 3.48Å; R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 2.89Å; R42-C280 PolarHBondContact NH1-O 3.35Å; R42-D281 IonicContact CZ-OD1 2.68Å; R42-D281 IonicContact NH1-OD1 3.82Å; R42-D281 PolarHBondContact NH1-OD1 3.14Å; R42-D281 IonicContact NH2-OD1 2.67Å; R42-D281 PolarHBondContact NH2-OD1 3.33Å; R42-D281 IonicContact NH2-OD2 2.65Å; R42-Y284 HydrophobicContact CB-CE2 4.3Å; R42-Y284 HydrophobicContact CG-CE1 4.25Å
43V90.2Very high93.5Very high52 Ų5265.2 Ų65.232%0.31532%0.324SS..Hα-helixtrans-64.8-41.4175.9173.30000110.7C39 E40 L46 Q47C39-V43 WeakPolarHBondContact O-CG2 3.21Å; C39-V43 PolarHBondContact O-N 2.96Å; E40-V43 PolarHBondContact O-N 3.03Å; V43-L46 PolarHBondContact O-N 2.79Å; V43-Q47 PolarHBondContact O-N 2.84Å
44Q95.2Very high93.8Very high103 Ų10365.5 Ų65.548%0.48132%0.322SS..Hα-helixtrans-61.3-46.8174.5-173.961.453.900111.8E40 L46 Q47 D48E40-Q44 WeakPolarHBondContact O-CB 3.39Å; E40-Q44 PolarHBondContact O-N 3.29Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.29Å; Q44-Q47 WeakPolarHBondContact O-CA 3.41Å; Q44-Q47 WeakPolarHBondContact O-CB 3.41Å; Q44-Q47 PolarHBondContact O-N 3.32Å; Q44-D48 PolarHBondContact NE2-OD1 3.25Å; Q44-D48 VanDerWaalsContact O-CG 3.25Å; Q44-D48 PolarHBondContact O-N 3.02Å
45L96.4Very high94.1Very high80 Ų8067.1 Ų67.142%0.41932%0.321SS..Hα-helixtrans-59.8-40.2176.9177.361.3000112.4L41 R42 Q47 D48 L49L41-L45 WeakPolarHBondContact O-CB 3.35Å; L41-L45 PolarHBondContact O-N 3.15Å; R42-L45 PolarHBondContact O-N 3.48Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 2.93Å; L45-D48 PolarHBondContact O-N 3.34Å; L45-L49 HydrophobicContact CD1-CD1 4.38Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CG-CD1 4.19Å; L45-L49 WeakPolarHBondContact O-CB 3.49Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.47Å
46L96.3Very high94.6Very high0 Ų067.4 Ų67.40%032%0.321CS..Hα-helixtrans-65.9-33.2174.5-70.2170.6000112.4R42 V43 Q44 Q50 F128 V131 Y284R42-L46 WeakPolarHBondContact O-CG 3.45Å; R42-L46 PolarHBondContact O-N 2.89Å; V43-L46 PolarHBondContact O-N 2.79Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.29Å; L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.27Å; L46-Q50 PolarHBondContact O-N 3.27Å; L46-Q50 PolarHBondContact O-NE2 2.72Å; L46-F128 HydrophobicContact CD2-CD1 3.88Å; L46-V131 HydrophobicContact CD1-CG1 3.88Å; L46-V131 HydrophobicContact CD2-CB 4.39Å; L46-V131 HydrophobicContact CD2-CG1 3.94Å; L46-Y284 HydrophobicContact CD1-CE2 3.98Å; L46-Y284 HydrophobicContact CD2-CE2 4.18Å; L46-Y284 HydrophobicContact CG-CE2 4.13Å
47Q96.8Very high95.1Very high70 Ų7065.5 Ų65.533%0.32731%0.311SS..Hα-helixtrans-68.9-48174.1-174.757.749.300111.1V43 Q44 L45 L49 Q50 D51V43-Q47 PolarHBondContact O-N 2.84Å; Q44-Q47 WeakPolarHBondContact O-CA 3.41Å; Q44-Q47 WeakPolarHBondContact O-CB 3.41Å; Q44-Q47 PolarHBondContact O-N 3.32Å; L45-Q47 VanDerWaalsContact C-N 3.31Å; L45-Q47 PolarHBondContact O-N 2.93Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 2.85Å; Q47-Q50 WeakPolarHBondContact O-CB 3.45Å; Q47-Q50 PolarHBondContact O-N 3.27Å; Q47-Q50 VanDerWaalsContact O-N 3.08Å; Q47-D51 VanDerWaalsContact NE2-CG 3.29Å; Q47-D51 PolarHBondContact NE2-OD1 3.43Å; Q47-D51 VanDerWaalsContact NE2-OD1 3.14Å; Q47-D51 PolarHBondContact NE2-OD2 3.47Å; Q47-D51 PolarHBondContact O-N 3.35Å
48D98.3Very high95.4Very high82 Ų8264.6 Ų64.644%0.43931%0.307SS..Hα-helixtrans-58.6-40.7177.5-62.5-18.8000111.2Q44 L45 D51 F52Q44-D48 PolarHBondContact NE2-OD1 3.25Å; Q44-D48 VanDerWaalsContact O-CG 3.25Å; Q44-D48 PolarHBondContact O-N 3.02Å; L45-D48 PolarHBondContact O-N 3.34Å; D48-D51 PolarHBondContact O-N 3.49Å; D48-F52 VanDerWaalsContact O-CB 3.24Å; D48-F52 WeakPolarHBondContact O-CB 3.45Å; D48-F52 PolarHBondContact O-N 2.76Å
49L98.3Very high95.9Very high32 Ų3265 Ų6517%0.16831%0.31CS..Hα-helixtrans-62.9-42.5174.3-76.2167.3000112.6L45 Q47 F53 F128 L288L45-L49 HydrophobicContact CD1-CD1 4.38Å; L45-L49 HydrophobicContact CD1-CG 4.43Å; L45-L49 HydrophobicContact CG-CD1 4.19Å; L45-L49 WeakPolarHBondContact O-CB 3.49Å; L45-L49 VanDerWaalsContact O-CG 3.26Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.47Å; Q47-L49 VanDerWaalsContact C-N 3.28Å; Q47-L49 PolarHBondContact O-N 2.85Å; L49-F53 HydrophobicContact CD2-CE2 4.45Å; L49-F53 VanDerWaalsContact O-CD2 3.29Å; L49-F53 WeakPolarHBondContact O-CD2 3.49Å; L49-F53 PolarHBondContact O-N 3.01Å; L49-F128 HydrophobicContact CB-CD2 4.13Å; L49-F128 HydrophobicContact CB-CE1 4.47Å; L49-F128 HydrophobicContact CB-CE2 4.07Å; L49-F128 HydrophobicContact CB-CG 4.35Å; L49-F128 HydrophobicContact CB-CZ 4.25Å; L49-F128 HydrophobicContact CD1-CD1 4.36Å; L49-F128 HydrophobicContact CD1-CE1 3.91Å; L49-F128 HydrophobicContact CD1-CZ 4.13Å; L49-F128 HydrophobicContact CD2-CZ 4.48Å; L49-L288 HydrophobicContact CD1-CD1 3.94Å
50Q97.9Very high96.5Very high13 Ų1365 Ų656%0.06131%0.308CS..Hα-helixtrans-62.3-44.6176.2-72.2164.871.200111.7L46 Q47 F53 R54 I125 F128 V129L46-Q50 VanDerWaalsContact O-CG 3.28Å; L46-Q50 WeakPolarHBondContact O-CG 3.27Å; L46-Q50 PolarHBondContact O-N 3.27Å; L46-Q50 PolarHBondContact O-NE2 2.72Å; Q47-Q50 WeakPolarHBondContact O-CB 3.45Å; Q47-Q50 PolarHBondContact O-N 3.27Å; Q47-Q50 VanDerWaalsContact O-N 3.08Å; Q50-F53 PolarHBondContact O-N 3.32Å; Q50-R54 WeakPolarHBondContact O-CB 3.25Å; Q50-R54 PolarHBondContact O-N 3.38Å; Q50-I125 HydrophobicContact CB-CG2 4.49Å; Q50-I125 HydrophobicContact CG-CG2 4.42Å; Q50-F128 HydrophobicContact CG-CB 3.51Å; Q50-V129 HydrophobicContact CG-CG2 4.46Å
51D98.4Very high96.9Very high62 Ų6260.5 Ų60.533%0.33229%0.288SS..Hα-helixtrans-72.5-36.7-176.7-64.6-25.3000111.2Q47 D48 R54 K55Q47-D51 VanDerWaalsContact NE2-CG 3.29Å; Q47-D51 PolarHBondContact NE2-OD1 3.43Å; Q47-D51 VanDerWaalsContact NE2-OD1 3.14Å; Q47-D51 PolarHBondContact NE2-OD2 3.47Å; Q47-D51 PolarHBondContact O-N 3.35Å; D48-D51 PolarHBondContact O-N 3.49Å; D51-R54 PolarHBondContact O-N 2.92Å; D51-R54 IonicContact OD1-CZ 2.67Å; D51-R54 IonicContact OD1-NH1 2.74Å; D51-R54 PolarHBondContact OD1-NH1 3.39Å; D51-R54 IonicContact OD1-NH2 3.86Å; D51-R54 PolarHBondContact OD1-NH2 2.93Å; D51-K55 PolarHBondContact O-N 2.81Å
52F98.7Very high97.2Very high114 Ų11459.1 Ų59.150%0.528%0.281SS..Hα-helixtrans-57-55169172.7-94.8000112D48 R54 K55 K56D48-F52 VanDerWaalsContact O-CB 3.24Å; D48-F52 WeakPolarHBondContact O-CB 3.45Å; D48-F52 PolarHBondContact O-N 2.76Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 2.88Å; F52-K55 PolarHBondContact O-N 3.36Å; F52-K55 VanDerWaalsContact O-N 3.15Å; F52-K56 HydrophobicContact CE1-CD 4.36Å; F52-K56 HydrophobicContact CZ-CD 4.36Å; F52-K56 PolarHBondContact O-N 2.98Å
53F98.6Very high97.6Very high5 Ų561.7 Ų61.72%0.02229%0.292CS..Hα-helixtrans-66.8-30.4-178.8-83.6-70.4000112.5L49 Q50 K56 A57 Y120 I124 I125 F128 F295L49-F53 HydrophobicContact CD2-CE2 4.45Å; L49-F53 VanDerWaalsContact O-CD2 3.29Å; L49-F53 WeakPolarHBondContact O-CD2 3.49Å; L49-F53 PolarHBondContact O-N 3.01Å; Q50-F53 PolarHBondContact O-N 3.32Å; F53-K56 PolarHBondContact O-N 3.1Å; F53-A57 WeakPolarHBondContact O-CB 3.42Å; F53-A57 PolarHBondContact O-N 3.07Å; F53-Y120 AromaticContact CD1-CD1 3.97Å; F53-Y120 HydrophobicContact CD1-CD1 3.97Å; F53-Y120 HydrophobicContact CD1-CD2 4.24Å; F53-Y120 HydrophobicContact CD1-CE1 4.19Å; F53-Y120 HydrophobicContact CD1-CE2 4.44Å; F53-Y120 AromaticContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CE1-CD1 4.27Å; F53-Y120 HydrophobicContact CE1-CE1 4.09Å; F53-I124 HydrophobicContact CD1-CG2 4.29Å; F53-I124 HydrophobicContact CD2-CG2 3.91Å; F53-I124 HydrophobicContact CE1-CD1 4.38Å; F53-I124 HydrophobicContact CE1-CG2 4.44Å; F53-I124 HydrophobicContact CE2-CG2 4.08Å; F53-I124 HydrophobicContact CG-CG2 4.03Å; F53-I124 HydrophobicContact CZ-CG2 4.35Å; F53-I125 HydrophobicContact CB-CD1 4.17Å; F53-I125 HydrophobicContact CB-CG1 3.77Å; F53-F128 HydrophobicContact CD2-CD2 4.32Å; F53-F128 AromaticContact CD2-CE2 3.61Å; F53-F128 HydrophobicContact CD2-CE2 3.61Å; F53-F128 AromaticContact CE2-CE2 3.73Å; F53-F128 HydrophobicContact CE2-CE2 3.73Å; F53-F128 HydrophobicContact CE2-CZ 4.27Å; F53-F295 HydrophobicContact CE1-CB 4.23Å; F53-F295 AromaticContact CE1-CD2 3.52Å; F53-F295 HydrophobicContact CE1-CD2 3.52Å; F53-F295 HydrophobicContact CE1-CE2 4.09Å; F53-F295 HydrophobicContact CE1-CG 4.03Å; F53-F295 HydrophobicContact CZ-CB 4.02Å; F53-F295 AromaticContact CZ-CD2 3.85Å; F53-F295 HydrophobicContact CZ-CD2 3.85Å; F53-F295 HydrophobicContact CZ-CE2 4.45Å; F53-F295 AromaticContact CZ-CG 3.9Å; F53-F295 HydrophobicContact CZ-CG 3.9Å
54R98.5Very high98Very high114 Ų11459.4 Ų59.443%0.4328%0.278SS..Hα-helixtrans-64.7-42.3172.7-161.5179-54.5114.713.2111.3Q50 D51 F52 E58 I125Q50-R54 WeakPolarHBondContact O-CB 3.25Å; Q50-R54 PolarHBondContact O-N 3.38Å; D51-R54 PolarHBondContact O-N 2.92Å; D51-R54 IonicContact OD1-CZ 2.67Å; D51-R54 IonicContact OD1-NH1 2.74Å; D51-R54 PolarHBondContact OD1-NH1 3.39Å; D51-R54 IonicContact OD1-NH2 3.86Å; D51-R54 PolarHBondContact OD1-NH2 2.93Å; F52-R54 VanDerWaalsContact C-N 3.28Å; F52-R54 PolarHBondContact O-N 2.88Å; R54-E58 PolarHBondContact O-N 3.06Å; R54-I125 HydrophobicContact CB-CD1 3.87Å; R54-I125 HydrophobicContact CG-CD1 4.37Å
55K98.6Very high98.2Very high100 Ų10059.5 Ų59.544%0.43527%0.274SS..Hα-helixtrans-70.9-38.5176.2-170.269.6-148.7173.30112.4D51 F52 E58 I59D51-K55 PolarHBondContact O-N 2.81Å; F52-K55 PolarHBondContact O-N 3.36Å; F52-K55 VanDerWaalsContact O-N 3.15Å; K55-E58 WeakPolarHBondContact CE-OE2 3.5Å; K55-E58 IonicContact NZ-OE1 2.76Å; K55-E58 PolarHBondContact NZ-OE1 3.31Å; K55-E58 IonicContact NZ-OE2 3.69Å; K55-E58 PolarHBondContact NZ-OE2 3.39Å; K55-E58 WeakPolarHBondContact O-CB 3.17Å; K55-E58 PolarHBondContact O-N 2.97Å; K55-I59 HydrophobicContact CG-CD1 4.24Å; K55-I59 WeakPolarHBondContact O-CG1 3.35Å; K55-I59 PolarHBondContact O-N 3.23Å
56K98.3Very high98.3Very high43 Ų4360 Ų6019%0.18728%0.277CS..Hα-helixtrans-61-46.2174.4-159179.6-172.7-73.90110.4F52 F53 E58 I59 E60 Y120 E299F52-K56 HydrophobicContact CE1-CD 4.36Å; F52-K56 HydrophobicContact CZ-CD 4.36Å; F52-K56 PolarHBondContact O-N 2.98Å; F53-K56 PolarHBondContact O-N 3.1Å; K56-E58 VanDerWaalsContact C-N 3.33Å; K56-E58 PolarHBondContact O-N 2.88Å; K56-I59 WeakPolarHBondContact O-CA 3.32Å; K56-I59 WeakPolarHBondContact O-CB 3.29Å; K56-I59 PolarHBondContact O-N 2.97Å; K56-E60 HydrophobicContact CG-CG 4.48Å; K56-E60 IonicContact NZ-OE1 3.01Å; K56-E60 PolarHBondContact NZ-OE1 3.47Å; K56-E60 WeakPolarHBondContact O-CG 3.43Å; K56-E60 PolarHBondContact O-N 2.92Å; K56-Y120 HydrophobicContact CB-CD2 4.24Å; K56-Y120 HydrophobicContact CB-CE2 4Å; K56-Y120 HydrophobicContact CD-CE2 3.61Å; K56-Y120 HydrophobicContact CG-CD2 4.44Å; K56-Y120 HydrophobicContact CG-CE2 3.72Å; K56-Y120 PolarHBondContact NZ-OH 3.49Å; K56-E299 IonicContact NZ-OE1 3.43Å; K56-E299 PolarHBondContact NZ-OE1 3.37Å
57A98.5Very high98.4Very high1 Ų160.8 Ų60.81%0.00828%0.281CS..Hα-helixtrans-56.9-42.1177.200000113.4F53 I59 E60 M61 S117 Y120 L121F53-A57 WeakPolarHBondContact O-CB 3.42Å; F53-A57 PolarHBondContact O-N 3.07Å; A57-I59 VanDerWaalsContact C-N 3.33Å; A57-I59 PolarHBondContact O-N 3.37Å; A57-E60 PolarHBondContact O-N 3.07Å; A57-M61 VanDerWaalsContact O-CB 3.27Å; A57-M61 WeakPolarHBondContact O-CB 3.38Å; A57-M61 PolarHBondContact O-N 3.1Å; A57-S117 PolarHBondContact O-OG 2.98Å; A57-Y120 HydrophobicContact CB-CD2 4.07Å; A57-L121 HydrophobicContact CB-CD1 4.37Å; A57-L121 HydrophobicContact CB-CD2 3.96Å; A57-L121 HydrophobicContact CB-CG 3.84Å
58E98.5Very high98.4Very high94 Ų9459.5 Ų59.544%0.43928%0.275SS..Hα-helixtrans-58.9-44.1174.2-168.8-165.9141.600111.9R54 K55 K56 M61 D62R54-E58 PolarHBondContact O-N 3.06Å; K55-E58 WeakPolarHBondContact CE-OE2 3.5Å; K55-E58 IonicContact NZ-OE1 2.76Å; K55-E58 PolarHBondContact NZ-OE1 3.31Å; K55-E58 IonicContact NZ-OE2 3.69Å; K55-E58 PolarHBondContact NZ-OE2 3.39Å; K55-E58 WeakPolarHBondContact O-CB 3.17Å; K55-E58 PolarHBondContact O-N 2.97Å; K56-E58 VanDerWaalsContact C-N 3.33Å; K56-E58 PolarHBondContact O-N 2.88Å; E58-M61 PolarHBondContact O-N 2.77Å; E58-D62 PolarHBondContact O-N 2.79Å
59I98.7Very high98.3Very high94 Ų9461.2 Ų61.248%0.48228%0.279SS..Hα-helixtrans-65.8-47.2178.5-65.7164.8000111.2K55 K56 A57 M61 D62 Y63K55-I59 HydrophobicContact CG-CD1 4.24Å; K55-I59 WeakPolarHBondContact O-CG1 3.35Å; K55-I59 PolarHBondContact O-N 3.23Å; K56-I59 WeakPolarHBondContact O-CA 3.32Å; K56-I59 WeakPolarHBondContact O-CB 3.29Å; K56-I59 PolarHBondContact O-N 2.97Å; A57-I59 VanDerWaalsContact C-N 3.33Å; A57-I59 PolarHBondContact O-N 3.37Å; I59-M61 VanDerWaalsContact C-N 3.28Å; I59-M61 PolarHBondContact O-N 2.87Å; I59-D62 PolarHBondContact O-N 2.85Å; I59-Y63 WeakPolarHBondContact O-CB 3.24Å; I59-Y63 PolarHBondContact O-N 3.49Å
60E98.3Very high98.3Very high19 Ų1963.4 Ų63.49%0.08929%0.29CS..Hα-helixtrans-58.2-41.8176.2-59.6-48.9153.300111.3K56 A57 Y63 S64 H113 L116 Y120K56-E60 HydrophobicContact CG-CG 4.48Å; K56-E60 IonicContact NZ-OE1 3.01Å; K56-E60 PolarHBondContact NZ-OE1 3.47Å; K56-E60 WeakPolarHBondContact O-CG 3.43Å; K56-E60 PolarHBondContact O-N 2.92Å; A57-E60 PolarHBondContact O-N 3.07Å; E60-Y63 PolarHBondContact O-N 3.29Å; E60-S64 WeakPolarHBondContact O-CB 3.5Å; E60-S64 PolarHBondContact O-N 3.08Å; E60-H113 IonicContact OE2-CE1 3.77Å; E60-H113 IonicContact OE2-CG 3.39Å; E60-H113 IonicContact OE2-ND1 3.23Å; E60-H113 PolarHBondContact OE2-ND1 3.47Å; E60-L116 HydrophobicContact CG-CD2 4.08Å; E60-L116 HydrophobicContact CG-CG 4.32Å; E60-Y120 HydrophobicContact CG-CD2 4.48Å; E60-Y120 HydrophobicContact CG-CE2 3.92Å
61M98.4Very high98.1Very high46 Ų4662.8 Ų62.823%0.22729%0.287CS..Hα-helixtrans-71.2-33.3179.9-173.957.462.800113A57 E58 I59 R65 T114 S117A57-M61 VanDerWaalsContact O-CB 3.27Å; A57-M61 WeakPolarHBondContact O-CB 3.38Å; A57-M61 PolarHBondContact O-N 3.1Å; E58-M61 PolarHBondContact O-N 2.77Å; I59-M61 VanDerWaalsContact C-N 3.28Å; I59-M61 PolarHBondContact O-N 2.87Å; M61-R65 WeakPolarHBondContact O-CB 3.34Å; M61-R65 WeakPolarHBondContact O-CG 3.35Å; M61-R65 PolarHBondContact O-N 3.5Å; M61-R65 VanDerWaalsContact O-N 3.16Å; M61-R65 PolarHBondContact O-NE 3.06Å; M61-R65 VanDerWaalsContact O-NE 3.13Å; M61-T114 HydrophobicContact CE-CG2 4.16Å; M61-S117 WeakPolarHBondContact CE-OG 3.37Å
62D98.4Very high97.9Very high66 Ų6665 Ų6535%0.35330%0.295SS..Hα-helixtrans-68.7-42.8170.3-91.1-23.7000111.6E58 I59 R65 N66E58-D62 PolarHBondContact O-N 2.79Å; I59-D62 PolarHBondContact O-N 2.85Å; D62-R65 PolarHBondContact O-N 3.33Å; D62-R65 IonicContact OD1-CZ 3.92Å; D62-R65 IonicContact OD1-NH1 3.05Å; D62-R65 PolarHBondContact OD1-NH1 3.49Å; D62-R65 IonicContact OD1-NH2 2.6Å; D62-R65 PolarHBondContact OD1-NH2 2.82Å; D62-N66 VanDerWaalsContact O-CG 3.27Å; D62-N66 PolarHBondContact O-N 2.95Å; D62-N66 VanDerWaalsContact O-N 3.13Å; D62-N66 PolarHBondContact O-ND2 3.01Å; D62-N66 VanDerWaalsContact O-ND2 3.11Å
63Y98.6Very high97.7Very high105 Ų10567.4 Ų67.441%0.41230%0.301SS..Hα-helixtrans-61.8-51.5177.1-176.5-117.9000111.2I59 E60 R65 N66 L67 H113I59-Y63 WeakPolarHBondContact O-CB 3.24Å; I59-Y63 PolarHBondContact O-N 3.49Å; E60-Y63 PolarHBondContact O-N 3.29Å; Y63-R65 PolarHBondContact O-N 3.02Å; Y63-N66 WeakPolarHBondContact O-CB 3.35Å; Y63-N66 PolarHBondContact O-N 3.12Å; Y63-L67 HydrophobicContact CD1-CD1 4.03Å; Y63-L67 HydrophobicContact CE1-CD1 3.53Å; Y63-L67 HydrophobicContact CE1-CG 4.2Å; Y63-L67 HydrophobicContact CE2-CD1 4.48Å; Y63-L67 HydrophobicContact CE2-CD2 4.23Å; Y63-L67 HydrophobicContact CE2-CG 4.31Å; Y63-L67 PolarHBondContact O-N 3.35Å; Y63-H113 HydrophobicContact CD1-CB 4.4Å; Y63-H113 AromaticContact CD1-CD2 3.67Å; Y63-H113 AromaticContact CD1-CE1 3.87Å; Y63-H113 AromaticContact CD1-CG 3.73Å; Y63-H113 AromaticContact CD1-ND1 3.84Å; Y63-H113 AromaticContact CD1-NE2 3.77Å; Y63-H113 AromaticContact CE1-CD2 3.61Å; Y63-H113 AromaticContact CE1-CE1 3.9Å; Y63-H113 AromaticContact CE1-NE2 3.44Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.41Å
64S98.5Very high97.3Very high4 Ų470 Ų703%0.02831%0.313CS..Hα-helixtrans-50.9-50.4173163.60000112.4E60 N66 L67 E68 S110 T114E60-S64 WeakPolarHBondContact O-CB 3.5Å; E60-S64 PolarHBondContact O-N 3.08Å; S64-N66 PolarHBondContact O-N 3.27Å; S64-L67 PolarHBondContact O-N 3.26Å; S64-L67 VanDerWaalsContact O-N 3.13Å; S64-E68 PolarHBondContact O-N 3.29Å; S64-S110 VanDerWaalsContact CB-O 3.26Å; S64-S110 WeakPolarHBondContact CB-O 3.24Å; S64-S110 PolarHBondContact O-OG 3.2Å; S64-S110 PolarHBondContact OG-O 3.29Å; S64-S110 PolarHBondContact OG-OG 3.1Å; S64-T114 PolarHBondContact OG-OG1 3.01Å
65R98.4Very high96.6Very high106 Ų10666.3 Ų66.340%0.430%0.301SS..Hα-helixtrans-63.3-23179.4-83.2-177.3-80.1114.3-2.9113.7M61 D62 Y63 K69M61-R65 WeakPolarHBondContact O-CB 3.34Å; M61-R65 WeakPolarHBondContact O-CG 3.35Å; M61-R65 PolarHBondContact O-N 3.5Å; M61-R65 VanDerWaalsContact O-N 3.16Å; M61-R65 PolarHBondContact O-NE 3.06Å; M61-R65 VanDerWaalsContact O-NE 3.13Å; D62-R65 PolarHBondContact O-N 3.33Å; D62-R65 IonicContact OD1-CZ 3.92Å; D62-R65 IonicContact OD1-NH1 3.05Å; D62-R65 PolarHBondContact OD1-NH1 3.49Å; D62-R65 IonicContact OD1-NH2 2.6Å; D62-R65 PolarHBondContact OD1-NH2 2.82Å; Y63-R65 PolarHBondContact O-N 3.02Å; R65-K69 WeakPolarHBondContact O-CD 3.17Å; R65-K69 WeakPolarHBondContact O-CE 3.34Å; R65-K69 WeakPolarHBondContact O-CG 3.4Å
66N98.6Very high95.8Very high90 Ų9064.5 Ų64.548%0.48131%0.305SS..Hα-helixtrans-83.5-36175.1-68.4-30.7000111.7D62 Y63 S64 L70D62-N66 VanDerWaalsContact O-CG 3.27Å; D62-N66 PolarHBondContact O-N 2.95Å; D62-N66 VanDerWaalsContact O-N 3.13Å; D62-N66 PolarHBondContact O-ND2 3.01Å; D62-N66 VanDerWaalsContact O-ND2 3.11Å; Y63-N66 WeakPolarHBondContact O-CB 3.35Å; Y63-N66 PolarHBondContact O-N 3.12Å; S64-N66 PolarHBondContact O-N 3.27Å; N66-L70 WeakPolarHBondContact O-CB 3.21Å; N66-L70 PolarHBondContact O-N 3.4Å; N66-L70 VanDerWaalsContact O-N 3.08Å
67L98.3Very high94.8Very high16 Ų1668 Ų688%0.08432%0.321CS..Hα-helixtrans-65.3-47173.3-66.7-177.3000112.7Y63 S64 K69 L70 A71 V106 E109Y63-L67 HydrophobicContact CD1-CD1 4.03Å; Y63-L67 HydrophobicContact CE1-CD1 3.53Å; Y63-L67 HydrophobicContact CE1-CG 4.2Å; Y63-L67 HydrophobicContact CE2-CD1 4.48Å; Y63-L67 HydrophobicContact CE2-CD2 4.23Å; Y63-L67 HydrophobicContact CE2-CG 4.31Å; Y63-L67 PolarHBondContact O-N 3.35Å; S64-L67 PolarHBondContact O-N 3.26Å; S64-L67 VanDerWaalsContact O-N 3.13Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.25Å; L67-L70 WeakPolarHBondContact O-CB 3.43Å; L67-L70 PolarHBondContact O-N 3.22Å; L67-A71 PolarHBondContact O-N 2.92Å; L67-V106 HydrophobicContact CB-CG1 4.05Å; L67-V106 HydrophobicContact CD2-CG1 4.21Å; L67-V106 VanDerWaalsContact O-CG1 3.3Å; L67-V106 WeakPolarHBondContact O-CG1 3.44Å; L67-E109 HydrophobicContact CD1-CB 3.75Å
68E97.4Very high93.3Very high43 Ų4371.5 Ų71.520%0.20134%0.342CS..Hα-helixtrans-61.2-43.7178.8-174.361.6-158.100111.1S64 L70 A71 E72 K107 S110S64-E68 PolarHBondContact O-N 3.29Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.46Å; E68-A71 PolarHBondContact O-N 3.36Å; E68-E72 HydrophobicContact CG-CG 4.21Å; E68-E72 WeakPolarHBondContact O-CB 3.25Å; E68-E72 WeakPolarHBondContact O-CG 3.38Å; E68-E72 PolarHBondContact O-N 3.35Å; E68-K107 WeakPolarHBondContact OE1-CE 3.23Å; E68-K107 IonicContact OE1-NZ 2.75Å; E68-K107 PolarHBondContact OE1-NZ 3.49Å; E68-K107 WeakPolarHBondContact OE2-CE 3.34Å; E68-K107 IonicContact OE2-NZ 3.99Å; E68-K107 PolarHBondContact OE2-NZ 3.2Å; E68-S110 WeakPolarHBondContact CB-OG 3.29Å
69K97.4Very high91.3Very high119 Ų11976.7 Ų76.752%0.51736%0.357SS..Hα-helixtrans-59.8-36174.5-71.5170.7-165.11630112.7R65 L67 R73R65-K69 WeakPolarHBondContact O-CD 3.17Å; R65-K69 WeakPolarHBondContact O-CE 3.34Å; R65-K69 WeakPolarHBondContact O-CG 3.4Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K69 PolarHBondContact O-N 3.25Å; K69-R73 VanDerWaalsContact O-CB 3.23Å; K69-R73 WeakPolarHBondContact O-CB 3.2Å; K69-R73 PolarHBondContact O-N 3.1Å; K69-R73 VanDerWaalsContact O-N 3.13Å
70L97.3Very high89Confident78 Ų7876.9 Ų76.941%0.40837%0.367SS..Hα-helixtrans-63.7-51175.9176.662.9000110.1N66 L67 E68 R73 F74 V106N66-L70 WeakPolarHBondContact O-CB 3.21Å; N66-L70 PolarHBondContact O-N 3.4Å; N66-L70 VanDerWaalsContact O-N 3.08Å; L67-L70 WeakPolarHBondContact O-CB 3.43Å; L67-L70 PolarHBondContact O-N 3.22Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.46Å; L70-R73 PolarHBondContact O-N 2.89Å; L70-F74 HydrophobicContact CD1-CD2 4.21Å; L70-F74 HydrophobicContact CD1-CE2 3.82Å; L70-F74 WeakPolarHBondContact O-CD2 3.28Å; L70-V106 HydrophobicContact CB-CG1 4.35Å; L70-V106 HydrophobicContact CD2-CG1 4.13Å; L70-V106 HydrophobicContact CG-CG1 4.36Å
71A94.5Very high86.7Confident0 Ų080.4 Ų80.40%039%0.39CS..Hα-helixtrans-63.9-48.3178.900000112.8L67 E68 R73 F74 L75 V106 K107L67-A71 PolarHBondContact O-N 2.92Å; E68-A71 PolarHBondContact O-N 3.36Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 3.4Å; A71-F74 PolarHBondContact O-N 3.37Å; A71-F74 VanDerWaalsContact O-N 3.14Å; A71-L75 HydrophobicContact CB-CD1 4.47Å; A71-L75 WeakPolarHBondContact O-CB 3.31Å; A71-L75 WeakPolarHBondContact O-CG 3.12Å; A71-L75 PolarHBondContact O-N 2.89Å; A71-V106 HydrophobicContact CB-CB 4.42Å; A71-V106 HydrophobicContact CB-CG1 3.99Å; A71-K107 HydrophobicContact CB-CD 4.04Å; A71-K107 HydrophobicContact CB-CG 3.37Å
72E93Very high84Confident107 Ų10787.9 Ų87.950%0.542%0.421SS..Hα-helixtrans-55.3-43.2177.8-75.8-170.814400112.1E68 F74 L75 A76E68-E72 HydrophobicContact CG-CG 4.21Å; E68-E72 WeakPolarHBondContact O-CB 3.25Å; E68-E72 WeakPolarHBondContact O-CG 3.38Å; E68-E72 PolarHBondContact O-N 3.35Å; E72-F74 PolarHBondContact O-N 3.11Å; E72-L75 PolarHBondContact O-N 2.94Å; E72-A76 WeakPolarHBondContact O-CB 2.98Å; E72-A76 PolarHBondContact O-N 2.88Å
73R94.1Very high81.4Confident165 Ų16590.1 Ų90.162%0.62343%0.433SS*.Hα-helixtrans-58.9-31.1-179.6-176-178.9-172-159.62.8113.2K69 L70 A71 K77K69-R73 VanDerWaalsContact O-CB 3.23Å; K69-R73 WeakPolarHBondContact O-CB 3.2Å; K69-R73 PolarHBondContact O-N 3.1Å; K69-R73 VanDerWaalsContact O-N 3.13Å; L70-R73 PolarHBondContact O-N 2.89Å; A71-R73 VanDerWaalsContact C-N 3.29Å; A71-R73 PolarHBondContact O-N 3.4Å; R73-K77 WeakPolarHBondContact O-CD 3.19Å; R73-K77 WeakPolarHBondContact O-CG 3.4Å
74F90.4Very high78.7Confident59 Ų5992.4 Ų92.426%0.25945%0.448SS..Hα-helixtrans-93.3-41.8178.5-73.8-72.8000112.3L70 A71 E72 A76 K77 T78 W99 L103L70-F74 HydrophobicContact CD1-CD2 4.21Å; L70-F74 HydrophobicContact CD1-CE2 3.82Å; L70-F74 WeakPolarHBondContact O-CD2 3.28Å; A71-F74 PolarHBondContact O-N 3.37Å; A71-F74 VanDerWaalsContact O-N 3.14Å; E72-F74 PolarHBondContact O-N 3.11Å; F74-A76 VanDerWaalsContact C-N 3.29Å; F74-A76 PolarHBondContact O-N 3.06Å; F74-K77 HydrophobicContact CD1-CD 4.41Å; F74-K77 WeakPolarHBondContact O-CB 3.39Å; F74-K77 PolarHBondContact O-N 2.93Å; F74-K77 VanDerWaalsContact O-N 3.12Å; F74-T78 PolarHBondContact O-N 3.31Å; F74-T78 PolarHBondContact O-OG1 3.45Å; F74-W99 HydrophobicContact CB-CZ2 3.9Å; F74-W99 HydrophobicContact CD1-CH2 4.04Å; F74-W99 AromaticContact CD1-CZ2 3.7Å; F74-W99 HydrophobicContact CD1-CZ2 3.7Å; F74-W99 HydrophobicContact CD2-CH2 4.46Å; F74-W99 HydrophobicContact CE1-CH2 4.32Å; F74-W99 HydrophobicContact CE1-CZ2 4.36Å; F74-W99 HydrophobicContact CG-CH2 4.11Å; F74-W99 AromaticContact CG-CZ2 3.81Å; F74-W99 HydrophobicContact CG-CZ2 3.81Å; F74-L103 HydrophobicContact CB-CD1 3.87Å; F74-L103 HydrophobicContact CB-CD2 3.76Å; F74-L103 HydrophobicContact CD2-CD2 4.37Å; F74-L103 HydrophobicContact CG-CD2 4.35Å
75L85.3Confident76Confident37 Ų37100.5 Ų100.519%0.19449%0.485CS..Hα-helixtrans-60.4-35.8175.4-69.5171.2000112.9A71 E72 R79 L103 K107A71-L75 HydrophobicContact CB-CD1 4.47Å; A71-L75 WeakPolarHBondContact O-CB 3.31Å; A71-L75 WeakPolarHBondContact O-CG 3.12Å; A71-L75 PolarHBondContact O-N 2.89Å; E72-L75 PolarHBondContact O-N 2.94Å; L75-R79 WeakPolarHBondContact O-CG 3.44Å; L75-R79 PolarHBondContact O-N 3.48Å; L75-L103 HydrophobicContact CD2-CB 4.39Å; L75-L103 HydrophobicContact CD2-CD1 3.95Å; L75-L103 HydrophobicContact CG-CD1 4.2Å; L75-K107 HydrophobicContact CD1-CD 3.68Å
76A80.9Confident73.5Confident63 Ų63101 Ų10152%0.52149%0.491SS..Hα-helixtrans-66.8-34.2176.300000112.9E72 F74 S80E72-A76 WeakPolarHBondContact O-CB 2.98Å; E72-A76 PolarHBondContact O-N 2.88Å; F74-A76 VanDerWaalsContact C-N 3.29Å; F74-A76 PolarHBondContact O-N 3.06Å; A76-S80 PolarHBondContact O-N 2.95Å
77K77.1Confident70.8Confident117 Ų117104.8 Ų104.851%0.50950%0.502SS..Hα-helixtrans-67.3-47.4177.6-70.8172.7179.8179.70111.2R73 F74 R79 S80R73-K77 WeakPolarHBondContact O-CD 3.19Å; R73-K77 WeakPolarHBondContact O-CG 3.4Å; F74-K77 HydrophobicContact CD1-CD 4.41Å; F74-K77 WeakPolarHBondContact O-CB 3.39Å; F74-K77 PolarHBondContact O-N 2.93Å; F74-K77 VanDerWaalsContact O-N 3.12Å; K77-R79 PolarHBondContact O-N 3.32Å; K77-S80 WeakPolarHBondContact O-CB 3.38Å; K77-S80 PolarHBondContact O-N 3.5Å
78T66.3Low68.2Low74 Ų74111 Ų11145%0.45453%0.529SS..Hα-helixtrans-59.7-34.7180-44.60000112.2F74 S80 T81F74-T78 PolarHBondContact O-N 3.31Å; F74-T78 PolarHBondContact O-OG1 3.45Å; T78-S80 VanDerWaalsContact C-N 3.34Å; T78-T81 PolarHBondContact O-OG1 3.12Å
79R57.1Low66Low202 Ų202116.4 Ų116.476%0.76256%0.559SS**Hα-helixtrans-76-15.6176.4-68.1178-176.4-171.52.1114.6L75 K77L75-R79 WeakPolarHBondContact O-CG 3.44Å; L75-R79 PolarHBondContact O-N 3.48Å; K77-R79 PolarHBondContact O-N 3.32Å
80S50.2Low63.9Low99 Ų99117.4 Ų117.469%0.69257%0.566SS**Hα-helixtrans-85.8-22.8-177.5-171.80000113.2A76 K77 T78A76-S80 PolarHBondContact O-N 2.95Å; K77-S80 WeakPolarHBondContact O-CB 3.38Å; K77-S80 PolarHBondContact O-N 3.5Å; T78-S80 VanDerWaalsContact C-N 3.34Å
81T50.2Low62.2Low93 Ų93117.2 Ų117.257%0.57157%0.565SS**SBendtrans-68.1128.7170.613.80000110.3T78 D83T78-T81 PolarHBondContact O-OG1 3.12Å; T81-D83 VanDerWaalsContact C-N 3.26Å; T81-D83 PolarHBondContact O-N 3.2Å
82K41.4Very low61.4Low203 Ų203119.4 Ų119.488%0.88358%0.578SS**SBendtrans-76.657.8-169.6-70.8-177.2171.8179.90114.2
83D43.6Very low61.3Low112 Ų112117 Ų11760%0.59957%0.569SS**  trans-125.446.2176.4-79.4-57.7000113.1T81 Q85T81-D83 VanDerWaalsContact C-N 3.26Å; T81-D83 PolarHBondContact O-N 3.2Å; D83-Q85 PolarHBondContact O-N 3.39Å
84Q42Very low61.2Low153 Ų153110 Ų11072%0.71555%0.545SS*.THydrogen-bonded Turntrans-65.91.3170.9-73.1-167.64.100114.3
85Q42.6Very low61.5Low174 Ų174110.7 Ų110.781%0.81356%0.555SS**THydrogen-bonded Turntrans-72.8-28177.7-141.681.414.600112.7D83 K87D83-Q85 PolarHBondContact O-N 3.39Å; Q85-K87 PolarHBondContact O-N 2.97Å
86F45.2Very low61.8Low118 Ų118112.1 Ų112.152%0.51857%0.565SS.*  trans-96.149.5-173.8-68.2-81.3000113.5K88 M332F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.16Å; F86-M332 HydrophobicContact CD1-SD 4.33Å; F86-M332 HydrophobicContact CE1-CG 4.04Å; F86-M332 HydrophobicContact CE1-SD 3.82Å; F86-M332 HydrophobicContact CZ-CG 4.3Å; F86-M332 HydrophobicContact CZ-SD 4.12Å
87K41.6Very low62.2Low168 Ų168112.2 Ų112.273%0.7356%0.557SS**  trans-82.474.4173.6-76.3-171.6177.4178.90112.9Q85Q85-K87 PolarHBondContact O-N 2.97Å
88K44.6Very low63.1Low148 Ų148107.5 Ų107.564%0.64354%0.539SS*.  trans-152.3130.9148-83.6-165.7176.7-176.80107.9F86 Q90F86-K88 VanDerWaalsContact C-N 3.34Å; F86-K88 PolarHBondContact O-N 3.16Å; K88-Q90 PolarHBondContact O-N 3.09Å
89D51.3Low64.4Low155 Ų155108.7 Ų108.783%0.82954%0.535SS*.G310 helixtrans-61.5-12.8-179.6-53.7-75.9000113.6N91D89-N91 PolarHBondContact O-N 2.94Å; D89-N91 VanDerWaalsContact O-N 3.1Å
90Q52.8Low66Low141 Ų141101.2 Ų101.266%0.65951%0.51SS*.G310 helixtrans-63.8-7.5179.2-72.5-177.8-48.800116.2K88 R328K88-Q90 PolarHBondContact O-N 3.09Å; Q90-R328 PolarHBondContact O-NH1 3.33Å
91N62.2Low68.1Low74 Ų7498.8 Ų98.840%0.39649%0.489SS..G310 helixtrans-128.525.3-173.3-100.5-20.4000115.8D89 R328D89-N91 PolarHBondContact O-N 2.94Å; D89-N91 VanDerWaalsContact O-N 3.1Å; N91-R328 VanDerWaalsContact OD1-CG 3.32Å; N91-R328 WeakPolarHBondContact OD1-CG 3.47Å; N91-R328 PolarHBondContact OD1-NH1 2.88Å
92V77.6Confident70.4Confident46 Ų4698.2 Ų98.228%0.27948%0.482SS..  trans-77.4134.7172.4-173.90000110V96 N97V92-V96 HydrophobicContact CG1-CB 3.68Å; V92-V96 HydrophobicContact CG1-CG1 3.7Å; V92-N97 HydrophobicContact CG1-CB 4.21Å
93L90.1Very high72.9Confident56 Ų5688.9 Ų88.929%0.29344%0.442SS..  trans-71.7147.6173.4-63170.6000110.6P95 V96 N97 D325L93-P95 VanDerWaalsContact C-CD 3.46Å; L93-V96 HydrophobicContact CB-CG2 4.33Å; L93-V96 WeakPolarHBondContact O-CA 3.47Å; L93-V96 WeakPolarHBondContact O-CB 3.21Å; L93-V96 PolarHBondContact O-N 3Å; L93-N97 PolarHBondContact O-N 3.05Å; L93-D325 WeakPolarHBondContact CA-OD1 3.44Å; L93-D325 HydrophobicContact CD2-CB 3.9Å; L93-D325 WeakPolarHBondContact CD2-OD1 3.39Å
94S93.6Very high75.3Confident17 Ų1787.7 Ų87.712%0.11944%0.436CS..Hα-helixtrans-53.5-40.3-171.769.40000115.1V96 N97 C98 N319 D321 D325S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.3Å; S94-N97 WeakPolarHBondContact O-CB 3.47Å; S94-N97 PolarHBondContact O-N 3.35Å; S94-C98 PolarHBondContact O-N 3.27Å; S94-C98 VanDerWaalsContact O-N 3.13Å; S94-C98 PolarHBondContact O-SG 3.48Å; S94-C98 VanDerWaalsContact O-SG 3.33Å; S94-N319 WeakPolarHBondContact CB-O 3.34Å; S94-D321 PolarHBondContact OG-N 3.49Å; S94-D325 WeakPolarHBondContact CB-OD2 3.47Å; S94-D325 PolarHBondContact N-OD1 2.81Å; S94-D325 PolarHBondContact N-OD2 3.25Å; S94-D325 VanDerWaalsContact N-OD2 3.1Å; S94-D325 PolarHBondContact OG-OD2 2.82Å
95P94.8Very high77.9Confident74 Ų7480.9 Ų80.948%0.48140%0.404SS..Hα-helixtrans-73.3-26.9178.2-14.631.8000112.6L93 W99 L320 D325L93-P95 VanDerWaalsContact C-CD 3.46Å; P95-W99 WeakPolarHBondContact O-CB 3.33Å; P95-W99 PolarHBondContact O-N 3.15Å; P95-L320 HydrophobicContact CB-CD2 4.28Å; P95-L320 HydrophobicContact CG-CD2 4.07Å; P95-D325 WeakPolarHBondContact CD-OD2 3.38Å
96V91.6Very high80.6Confident67 Ų6773.7 Ų73.741%0.40637%0.372SS..Hα-helixtrans-74.5-32175.8-176.30000110.1V92 L93 S94 W99 N100V92-V96 HydrophobicContact CG1-CB 3.68Å; V92-V96 HydrophobicContact CG1-CG1 3.7Å; L93-V96 HydrophobicContact CB-CG2 4.33Å; L93-V96 WeakPolarHBondContact O-CA 3.47Å; L93-V96 WeakPolarHBondContact O-CB 3.21Å; L93-V96 PolarHBondContact O-N 3Å; S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.3Å; V96-W99 PolarHBondContact O-N 3.41Å; V96-N100 WeakPolarHBondContact O-CB 3.28Å; V96-N100 PolarHBondContact O-N 3.34Å; V96-N100 PolarHBondContact O-ND2 2.89Å
97N91Very high83.1Confident65 Ų6570.2 Ų70.235%0.34836%0.356SS..Hα-helixtrans-64.1-49.4171.1-171.448.1000111.3V92 L93 S94 W99 N100 L101V92-N97 HydrophobicContact CG1-CB 4.21Å; L93-N97 PolarHBondContact O-N 3.05Å; S94-N97 WeakPolarHBondContact O-CB 3.47Å; S94-N97 PolarHBondContact O-N 3.35Å; N97-W99 VanDerWaalsContact C-N 3.3Å; N97-W99 PolarHBondContact O-N 3.05Å; N97-N100 PolarHBondContact O-N 2.93Å; N97-N100 VanDerWaalsContact O-N 3.11Å; N97-L101 PolarHBondContact O-N 2.97Å
98C94.8Very high85.7Confident19 Ų1966 Ų6613%0.12834%0.336CS..Hα-helixtrans-52.5-47.7173.6-63.30000111.9S94 N100 L101 L102 A316S94-C98 PolarHBondContact O-N 3.27Å; S94-C98 VanDerWaalsContact O-N 3.13Å; S94-C98 PolarHBondContact O-SG 3.48Å; S94-C98 VanDerWaalsContact O-SG 3.33Å; C98-N100 PolarHBondContact O-N 3.31Å; C98-L101 PolarHBondContact O-N 3.02Å; C98-L102 WeakPolarHBondContact O-CB 3.44Å; C98-L102 PolarHBondContact O-N 3.44Å; C98-A316 VanDerWaalsContact SG-C 3.54Å; C98-A316 PolarHBondContact SG-O 3.23Å
99W94.3Very high88.3Confident98 Ų9860.4 Ų60.437%0.37131%0.312SS..Hα-helixtrans-61.6-41.5177.5176.1-110.1000113.4F74 P95 V96 N97 L102 L103F74-W99 HydrophobicContact CB-CZ2 3.9Å; F74-W99 HydrophobicContact CD1-CH2 4.04Å; F74-W99 AromaticContact CD1-CZ2 3.7Å; F74-W99 HydrophobicContact CD1-CZ2 3.7Å; F74-W99 HydrophobicContact CD2-CH2 4.46Å; F74-W99 HydrophobicContact CE1-CH2 4.32Å; F74-W99 HydrophobicContact CE1-CZ2 4.36Å; F74-W99 HydrophobicContact CG-CH2 4.11Å; F74-W99 AromaticContact CG-CZ2 3.81Å; F74-W99 HydrophobicContact CG-CZ2 3.81Å; P95-W99 WeakPolarHBondContact O-CB 3.33Å; P95-W99 PolarHBondContact O-N 3.15Å; V96-W99 PolarHBondContact O-N 3.41Å; N97-W99 VanDerWaalsContact C-N 3.3Å; N97-W99 PolarHBondContact O-N 3.05Å; W99-L102 HydrophobicContact CE3-CD2 4.18Å; W99-L102 HydrophobicContact CZ3-CD2 4.19Å; W99-L103 HydrophobicContact CD2-CD1 4.44Å; W99-L103 HydrophobicContact CD2-CG 4.45Å; W99-L103 HydrophobicContact CH2-CD2 4.16Å; W99-L103 HydrophobicContact CZ2-CD1 3.91Å; W99-L103 HydrophobicContact CZ2-CD2 4.03Å; W99-L103 HydrophobicContact CZ2-CG 4.14Å; W99-L103 WeakPolarHBondContact O-CG 3.42Å; W99-L103 PolarHBondContact O-N 3.49Å; W99-L103 VanDerWaalsContact O-N 3.1Å
100N91.3Very high90.5Very high46 Ų4653.2 Ų53.225%0.24627%0.274CS..Hα-helixtrans-65.9-40.8177.5-71.8-26.8000111.8V96 N97 C98 L103 N104V96-N100 WeakPolarHBondContact O-CB 3.28Å; V96-N100 PolarHBondContact O-N 3.34Å; V96-N100 PolarHBondContact O-ND2 2.89Å; N97-N100 PolarHBondContact O-N 2.93Å; N97-N100 VanDerWaalsContact O-N 3.11Å; C98-N100 PolarHBondContact O-N 3.31Å; N100-L103 PolarHBondContact O-N 3.08Å; N100-N104 VanDerWaalsContact O-CG 3.27Å; N100-N104 PolarHBondContact O-N 3.44Å; N100-N104 PolarHBondContact O-ND2 3.45Å
101L94.5Very high92.7Very high47 Ų4754 Ų5425%0.24627%0.271CS..Hα-helixtrans-68.9-39.6178.1-71.9164.3000111.9N97 C98 L103 N104 Q105 I313 A316N97-L101 PolarHBondContact O-N 2.97Å; C98-L101 PolarHBondContact O-N 3.02Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.22Å; L101-N104 WeakPolarHBondContact O-CB 3.45Å; L101-N104 PolarHBondContact O-N 2.98Å; L101-N104 VanDerWaalsContact O-N 3.12Å; L101-Q105 PolarHBondContact O-N 3Å; L101-I313 HydrophobicContact CB-CG1 4.13Å; L101-A316 HydrophobicContact CD1-CB 3.49Å; L101-A316 VanDerWaalsContact CD1-CB 3.49Å
102L96.9Very high94.4Very high82 Ų8252.1 Ų52.143%0.42926%0.261SS..Hα-helixtrans-57.6-44.5171.4-174.666.4000112.2C98 W99 Q105 V106 I313C98-L102 WeakPolarHBondContact O-CB 3.44Å; C98-L102 PolarHBondContact O-N 3.44Å; W99-L102 HydrophobicContact CE3-CD2 4.18Å; W99-L102 HydrophobicContact CZ3-CD2 4.19Å; L102-Q105 PolarHBondContact O-N 3.28Å; L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 3.46Å; L102-I313 HydrophobicContact CD1-CD1 4.06Å
103L94.8Very high95.4Very high6 Ų651.1 Ų51.13%0.03125%0.253CS..Hα-helixtrans-67.8-34.2175.2-68.8180000112.8F74 L75 W99 N100 L101 K107F74-L103 HydrophobicContact CB-CD1 3.87Å; F74-L103 HydrophobicContact CB-CD2 3.76Å; F74-L103 HydrophobicContact CD2-CD2 4.37Å; F74-L103 HydrophobicContact CG-CD2 4.35Å; L75-L103 HydrophobicContact CD2-CB 4.39Å; L75-L103 HydrophobicContact CD2-CD1 3.95Å; L75-L103 HydrophobicContact CG-CD1 4.2Å; W99-L103 HydrophobicContact CD2-CD1 4.44Å; W99-L103 HydrophobicContact CD2-CG 4.45Å; W99-L103 HydrophobicContact CH2-CD2 4.16Å; W99-L103 HydrophobicContact CZ2-CD1 3.91Å; W99-L103 HydrophobicContact CZ2-CD2 4.03Å; W99-L103 HydrophobicContact CZ2-CG 4.14Å; W99-L103 WeakPolarHBondContact O-CG 3.42Å; W99-L103 PolarHBondContact O-N 3.49Å; W99-L103 VanDerWaalsContact O-N 3.1Å; N100-L103 PolarHBondContact O-N 3.08Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.22Å; L103-K107 PolarHBondContact O-N 3.04Å
104N93.7Very high95.8Very high88 Ų8850.4 Ų50.447%0.47125%0.251SS..Hα-helixtrans-67.8-35.9174.7-74.2-28.1000111.8N100 L101 K107 R108N100-N104 VanDerWaalsContact O-CG 3.27Å; N100-N104 PolarHBondContact O-N 3.44Å; N100-N104 PolarHBondContact O-ND2 3.45Å; L101-N104 WeakPolarHBondContact O-CB 3.45Å; L101-N104 PolarHBondContact O-N 2.98Å; L101-N104 VanDerWaalsContact O-N 3.12Å; N104-K107 WeakPolarHBondContact O-CB 3.43Å; N104-K107 PolarHBondContact O-N 3.32Å; N104-R108 PolarHBondContact O-N 2.94Å
105Q97.6Very high96Very high10 Ų1053.2 Ų53.25%0.04727%0.268CS..Hα-helixtrans-64.9-44.9176.4176.662.3-11.300112.1L101 L102 K107 R108 E109 K306 G309 I313L101-Q105 PolarHBondContact O-N 3Å; L102-Q105 PolarHBondContact O-N 3.28Å; Q105-K107 PolarHBondContact O-N 3.47Å; Q105-R108 WeakPolarHBondContact O-CA 3.26Å; Q105-R108 WeakPolarHBondContact O-CB 3.49Å; Q105-R108 PolarHBondContact O-N 3.39Å; Q105-E109 PolarHBondContact O-N 2.8Å; Q105-K306 PolarHBondContact NE2-O 2.81Å; Q105-G309 VanDerWaalsContact OE1-CA 3.27Å; Q105-I313 HydrophobicContact CB-CD1 3.69Å; Q105-I313 HydrophobicContact CG-CD1 4Å
106V98.2Very high96.2Very high23 Ų2349.8 Ų49.814%0.13925%0.245CC..Hα-helixtrans-55.9-35.6173.4173.60000111.7L67 L70 A71 L102 S110L67-V106 HydrophobicContact CB-CG1 4.05Å; L67-V106 HydrophobicContact CD2-CG1 4.21Å; L67-V106 VanDerWaalsContact O-CG1 3.3Å; L67-V106 WeakPolarHBondContact O-CG1 3.44Å; L70-V106 HydrophobicContact CB-CG1 4.35Å; L70-V106 HydrophobicContact CD2-CG1 4.13Å; L70-V106 HydrophobicContact CG-CG1 4.36Å; A71-V106 HydrophobicContact CB-CB 4.42Å; A71-V106 HydrophobicContact CB-CG1 3.99Å; L102-V106 WeakPolarHBondContact O-CG2 3.38Å; L102-V106 PolarHBondContact O-N 3.46Å; V106-S110 WeakPolarHBondContact O-CB 3.31Å; V106-S110 PolarHBondContact O-N 2.9Å; V106-S110 VanDerWaalsContact O-N 3.09Å
107K97.1Very high96.5Very high44 Ų4446.7 Ų46.719%0.19123%0.226CC..Hα-helixtrans-75-32.7174.7-71.5-162.261.7126.60114.2E68 A71 L75 L103 N104 Q105 R111E68-K107 WeakPolarHBondContact OE1-CE 3.23Å; E68-K107 IonicContact OE1-NZ 2.75Å; E68-K107 PolarHBondContact OE1-NZ 3.49Å; E68-K107 WeakPolarHBondContact OE2-CE 3.34Å; E68-K107 IonicContact OE2-NZ 3.99Å; E68-K107 PolarHBondContact OE2-NZ 3.2Å; A71-K107 HydrophobicContact CB-CD 4.04Å; A71-K107 HydrophobicContact CB-CG 3.37Å; L75-K107 HydrophobicContact CD1-CD 3.68Å; L103-K107 PolarHBondContact O-N 3.04Å; N104-K107 WeakPolarHBondContact O-CB 3.43Å; N104-K107 PolarHBondContact O-N 3.32Å; Q105-K107 PolarHBondContact O-N 3.47Å; K107-R111 WeakPolarHBondContact O-CD 3.46Å; K107-R111 WeakPolarHBondContact O-CG 3.45Å; K107-R111 PolarHBondContact O-N 3.32Å
108R97.3Very high96.9Very high81 Ų8146.9 Ų46.931%0.30623%0.228SC..Hα-helixtrans-64.5-57.1173.9-174.6-166.6-88.8-111.317.2108.8N104 Q105 S110 R111 D112 S305 E308N104-R108 PolarHBondContact O-N 2.94Å; Q105-R108 WeakPolarHBondContact O-CA 3.26Å; Q105-R108 WeakPolarHBondContact O-CB 3.49Å; Q105-R108 PolarHBondContact O-N 3.39Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 3.41Å; R108-R111 WeakPolarHBondContact O-CB 3.47Å; R108-R111 PolarHBondContact O-N 2.92Å; R108-D112 VanDerWaalsContact O-CG 3.26Å; R108-D112 PolarHBondContact O-N 3.06Å; R108-S305 WeakPolarHBondContact CD-O 3.2Å; R108-S305 WeakPolarHBondContact CD-OG 3.21Å; R108-S305 PolarHBondContact NH1-O 3.14Å; R108-S305 PolarHBondContact NH1-OG 2.87Å; R108-E308 IonicContact CZ-OE2 3.35Å; R108-E308 IonicContact NH1-OE2 2.79Å; R108-E308 PolarHBondContact NH1-OE2 3.13Å; R108-E308 IonicContact NH2-OE2 2.64Å; R108-E308 PolarHBondContact NH2-OE2 3.31Å
109E98.2Very high97.1Very high29 Ų2948.2 Ų48.214%0.13623%0.233CC..Hα-helixtrans-52.5-45.4176.1-70.4-173.1159.600112.1L67 Q105 R111 D112 H113 K306L67-E109 HydrophobicContact CD1-CB 3.75Å; Q105-E109 PolarHBondContact O-N 2.8Å; E109-R111 VanDerWaalsContact C-N 3.33Å; E109-R111 PolarHBondContact O-N 3.26Å; E109-D112 PolarHBondContact O-N 3.47Å; E109-D112 VanDerWaalsContact O-N 3.16Å; E109-H113 PolarHBondContact O-CD2 2.81Å; E109-H113 PolarHBondContact O-N 3.44Å; E109-K306 WeakPolarHBondContact OE1-CE 3.45Å
110S98.5Very high97.3Very high5 Ų543.6 Ų43.64%0.03522%0.215CC..Hα-helixtrans-54.3-46.4176177.60000113.1S64 E68 V106 R108 T114S64-S110 VanDerWaalsContact CB-O 3.26Å; S64-S110 WeakPolarHBondContact CB-O 3.24Å; S64-S110 PolarHBondContact O-OG 3.2Å; S64-S110 PolarHBondContact OG-O 3.29Å; S64-S110 PolarHBondContact OG-OG 3.1Å; E68-S110 WeakPolarHBondContact CB-OG 3.29Å; V106-S110 WeakPolarHBondContact O-CB 3.31Å; V106-S110 PolarHBondContact O-N 2.9Å; V106-S110 VanDerWaalsContact O-N 3.09Å; R108-S110 VanDerWaalsContact C-N 3.3Å; R108-S110 PolarHBondContact O-N 3.41Å; S110-T114 PolarHBondContact O-N 2.73Å; S110-T114 PolarHBondContact O-OG1 3.48Å
111R98.3Very high97.6Very high158 Ų15844.9 Ų44.960%0.59622%0.222SC*.Hα-helixtrans-68.2-36.9178.9-69.2167.2175.9-173.8-3.7112.1K107 R108 E109 T114 T115K107-R111 WeakPolarHBondContact O-CD 3.46Å; K107-R111 WeakPolarHBondContact O-CG 3.45Å; K107-R111 PolarHBondContact O-N 3.32Å; R108-R111 WeakPolarHBondContact O-CB 3.47Å; R108-R111 PolarHBondContact O-N 2.92Å; E109-R111 VanDerWaalsContact C-N 3.33Å; E109-R111 PolarHBondContact O-N 3.26Å; R111-T114 WeakPolarHBondContact O-CB 3.49Å; R111-T114 PolarHBondContact O-N 3.16Å; R111-T115 WeakPolarHBondContact O-CB 3.45Å; R111-T115 PolarHBondContact O-N 3.21Å; R111-T115 PolarHBondContact O-OG1 3.11Å
112D98.3Very high97.8Very high34 Ų3448.4 Ų48.418%0.18224%0.241CC..Hα-helixtrans-69.4-42.3-178.9-61.3-16.9000110.5R108 E109 T114 T115 L116 L302 S305R108-D112 VanDerWaalsContact O-CG 3.26Å; R108-D112 PolarHBondContact O-N 3.06Å; E109-D112 PolarHBondContact O-N 3.47Å; E109-D112 VanDerWaalsContact O-N 3.16Å; D112-T114 PolarHBondContact O-N 2.69Å; D112-T115 CarbonylContact O-C 3.56Å; D112-T115 WeakPolarHBondContact O-CB 3.37Å; D112-T115 PolarHBondContact O-N 3.47Å; D112-T115 VanDerWaalsContact O-N 3.15Å; D112-L116 WeakPolarHBondContact O-CB 3.48Å; D112-L116 PolarHBondContact O-N 2.99Å; D112-L302 HydrophobicContact CB-CD1 4.1Å; D112-L302 HydrophobicContact CB-CG 4.08Å; D112-S305 WeakPolarHBondContact OD2-CB 3.41Å; D112-S305 PolarHBondContact OD2-OG 3.18Å
113H98.5Very high97.8Very high24 Ų2447 Ų4711%0.11123%0.234CC..Hα-helixtrans-67.1-33.5172.8-75.7-79000113.2E60 Y63 E109 L116 S117E60-H113 IonicContact OE2-CE1 3.77Å; E60-H113 IonicContact OE2-CG 3.39Å; E60-H113 IonicContact OE2-ND1 3.23Å; E60-H113 PolarHBondContact OE2-ND1 3.47Å; Y63-H113 HydrophobicContact CD1-CB 4.4Å; Y63-H113 AromaticContact CD1-CD2 3.67Å; Y63-H113 AromaticContact CD1-CE1 3.87Å; Y63-H113 AromaticContact CD1-CG 3.73Å; Y63-H113 AromaticContact CD1-ND1 3.84Å; Y63-H113 AromaticContact CD1-NE2 3.77Å; Y63-H113 AromaticContact CE1-CD2 3.61Å; Y63-H113 AromaticContact CE1-CE1 3.9Å; Y63-H113 AromaticContact CE1-NE2 3.44Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.41Å; E109-H113 PolarHBondContact O-CD2 2.81Å; E109-H113 PolarHBondContact O-N 3.44Å; H113-L116 PolarHBondContact O-N 2.93Å; H113-S117 PolarHBondContact O-N 2.94Å
114T98.7Very high98Very high42 Ų4246.8 Ų46.826%0.25823%0.233SC..Hα-helixtrans-60.8-47.4167.2-77.50000111.2M61 S64 S110 R111 D112 L116 S117 D118M61-T114 HydrophobicContact CE-CG2 4.16Å; S64-T114 PolarHBondContact OG-OG1 3.01Å; S110-T114 PolarHBondContact O-N 2.73Å; S110-T114 PolarHBondContact O-OG1 3.48Å; R111-T114 WeakPolarHBondContact O-CB 3.49Å; R111-T114 PolarHBondContact O-N 3.16Å; D112-T114 PolarHBondContact O-N 2.69Å; T114-L116 VanDerWaalsContact C-N 3.31Å; T114-L116 PolarHBondContact O-N 2.97Å; T114-S117 WeakPolarHBondContact O-CB 3.37Å; T114-S117 PolarHBondContact O-N 3.06Å; T114-D118 PolarHBondContact O-N 3.03Å
115T98.5Very high98.2Very high75 Ų7543.3 Ų43.346%0.4621%0.214SC..Hα-helixtrans-62.8-38.6179.4-55.10000111.5R111 D112 D118 I119R111-T115 WeakPolarHBondContact O-CB 3.45Å; R111-T115 PolarHBondContact O-N 3.21Å; R111-T115 PolarHBondContact O-OG1 3.11Å; D112-T115 CarbonylContact O-C 3.56Å; D112-T115 WeakPolarHBondContact O-CB 3.37Å; D112-T115 PolarHBondContact O-N 3.47Å; D112-T115 VanDerWaalsContact O-N 3.15Å; T115-D118 PolarHBondContact O-N 3.44Å; T115-I119 HydrophobicContact CG2-CD1 4.13Å; T115-I119 VanDerWaalsContact O-CG1 3.3Å; T115-I119 WeakPolarHBondContact O-CG1 3.48Å; T115-I119 PolarHBondContact O-N 3.33Å
116L98.3Very high98.2Very high3 Ų345.6 Ų45.62%0.01623%0.23CC..Hα-helixtrans-63.9-45.7176.2-172.861.8000111.8E60 D112 H113 T114 D118 I119 Y120 A298 L302E60-L116 HydrophobicContact CG-CD2 4.08Å; E60-L116 HydrophobicContact CG-CG 4.32Å; D112-L116 WeakPolarHBondContact O-CB 3.48Å; D112-L116 PolarHBondContact O-N 2.99Å; H113-L116 PolarHBondContact O-N 2.93Å; T114-L116 VanDerWaalsContact C-N 3.31Å; T114-L116 PolarHBondContact O-N 2.97Å; L116-D118 VanDerWaalsContact C-N 3.33Å; L116-D118 PolarHBondContact O-N 2.61Å; L116-I119 PolarHBondContact O-N 3.48Å; L116-Y120 HydrophobicContact CD1-CD1 4.37Å; L116-Y120 HydrophobicContact CD1-CE1 3.5Å; L116-Y120 HydrophobicContact CD1-CE2 4.4Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.39Å; L116-Y120 HydrophobicContact CD2-CE2 4.39Å; L116-Y120 HydrophobicContact CG-CE1 3.93Å; L116-Y120 HydrophobicContact CG-CE2 3.92Å; L116-Y120 WeakPolarHBondContact O-CD1 3.42Å; L116-Y120 VanDerWaalsContact O-CG 3.28Å; L116-Y120 PolarHBondContact O-N 3.41Å; L116-A298 HydrophobicContact CD1-CB 3.53Å; L116-L302 HydrophobicContact CB-CD1 4.26Å; L116-L302 HydrophobicContact CD2-CD1 3.8Å
117S98.6Very high98.2Very high1 Ų148.1 Ų48.11%0.00724%0.237CC..Hα-helixtrans-56.1-46.2170.4168.10000111.9A57 M61 H113 T114 I119 Y120 L121A57-S117 PolarHBondContact O-OG 2.98Å; M61-S117 WeakPolarHBondContact CE-OG 3.37Å; H113-S117 PolarHBondContact O-N 2.94Å; T114-S117 WeakPolarHBondContact O-CB 3.37Å; T114-S117 PolarHBondContact O-N 3.06Å; S117-I119 VanDerWaalsContact C-N 3.35Å; S117-I119 PolarHBondContact O-N 2.96Å; S117-Y120 PolarHBondContact O-N 3.25Å; S117-L121 WeakPolarHBondContact O-CG 3.33Å; S117-L121 PolarHBondContact O-N 2.97Å
118D98.5Very high98.2Very high70 Ų7046 Ų4637%0.37423%0.228SC..Hα-helixtrans-65.8-35.5179.6-75.3-24000112.4T114 T115 L116 N122T114-D118 PolarHBondContact O-N 3.03Å; T115-D118 PolarHBondContact O-N 3.44Å; L116-D118 VanDerWaalsContact C-N 3.33Å; L116-D118 PolarHBondContact O-N 2.61Å; D118-N122 WeakPolarHBondContact O-CB 3.5Å; D118-N122 PolarHBondContact O-N 2.92Å; D118-N122 PolarHBondContact O-ND2 3.31Å
119I98.5Very high98.1Very high47 Ų4744.6 Ų44.624%0.24123%0.228CC..Hα-helixtrans-64.1-41.9172.3-70.6164.3000110.5T115 L116 S117 N123 I124 T294 A298T115-I119 HydrophobicContact CG2-CD1 4.13Å; T115-I119 VanDerWaalsContact O-CG1 3.3Å; T115-I119 WeakPolarHBondContact O-CG1 3.48Å; T115-I119 PolarHBondContact O-N 3.33Å; L116-I119 PolarHBondContact O-N 3.48Å; S117-I119 VanDerWaalsContact C-N 3.35Å; S117-I119 PolarHBondContact O-N 2.96Å; I119-N123 HydrophobicContact CG2-CB 4.4Å; I119-N123 WeakPolarHBondContact O-CA 3.48Å; I119-N123 WeakPolarHBondContact O-CB 3.44Å; I119-N123 PolarHBondContact O-N 3.14Å; I119-I124 HydrophobicContact CG2-CD1 4.26Å; I119-I124 HydrophobicContact CG2-CG1 4.16Å; I119-I124 PolarHBondContact O-N 2.91Å; I119-T294 HydrophobicContact CG2-CG2 4.32Å; I119-A298 HydrophobicContact CD1-CB 3.93Å; I119-A298 HydrophobicContact CG2-CB 4.05Å
120Y98.4Very high98Very high0 Ų048.4 Ų48.40%025%0.246CC..Iπ-helixtrans-64-49.1178-63.2-11.8000111.8F53 K56 A57 E60 L116 S117 I124 I125 F295 E299F53-Y120 AromaticContact CD1-CD1 3.97Å; F53-Y120 HydrophobicContact CD1-CD1 3.97Å; F53-Y120 HydrophobicContact CD1-CD2 4.24Å; F53-Y120 HydrophobicContact CD1-CE1 4.19Å; F53-Y120 HydrophobicContact CD1-CE2 4.44Å; F53-Y120 AromaticContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CD1-CG 3.98Å; F53-Y120 HydrophobicContact CE1-CD1 4.27Å; F53-Y120 HydrophobicContact CE1-CE1 4.09Å; K56-Y120 HydrophobicContact CB-CD2 4.24Å; K56-Y120 HydrophobicContact CB-CE2 4Å; K56-Y120 HydrophobicContact CD-CE2 3.61Å; K56-Y120 HydrophobicContact CG-CD2 4.44Å; K56-Y120 HydrophobicContact CG-CE2 3.72Å; K56-Y120 PolarHBondContact NZ-OH 3.49Å; A57-Y120 HydrophobicContact CB-CD2 4.07Å; E60-Y120 HydrophobicContact CG-CD2 4.48Å; E60-Y120 HydrophobicContact CG-CE2 3.92Å; L116-Y120 HydrophobicContact CD1-CD1 4.37Å; L116-Y120 HydrophobicContact CD1-CE1 3.5Å; L116-Y120 HydrophobicContact CD1-CE2 4.4Å; L116-Y120 WeakPolarHBondContact CD1-OH 3.39Å; L116-Y120 HydrophobicContact CD2-CE2 4.39Å; L116-Y120 HydrophobicContact CG-CE1 3.93Å; L116-Y120 HydrophobicContact CG-CE2 3.92Å; L116-Y120 WeakPolarHBondContact O-CD1 3.42Å; L116-Y120 VanDerWaalsContact O-CG 3.28Å; L116-Y120 PolarHBondContact O-N 3.41Å; S117-Y120 PolarHBondContact O-N 3.25Å; Y120-I124 HydrophobicContact CD1-CD1 3.73Å; Y120-I124 HydrophobicContact CD1-CG1 4.41Å; Y120-I124 HydrophobicContact CE1-CD1 4.09Å; Y120-I124 PolarHBondContact O-N 3.13Å; Y120-I125 WeakPolarHBondContact O-CB 3.21Å; Y120-I125 VanDerWaalsContact O-CG1 3.31Å; Y120-I125 WeakPolarHBondContact O-CG1 3.48Å; Y120-I125 PolarHBondContact O-N 3.1Å; Y120-F295 AromaticContact CE1-CD2 3.97Å; Y120-F295 HydrophobicContact CE1-CD2 3.97Å; Y120-E299 PolarHBondContact OH-OE1 3.43Å
121L98.4Very high97.8Very high74 Ų7448.6 Ų48.639%0.38725%0.247SC..Iπ-helixtrans-68.8-42.4-177.9-66.8172.6000113.1A57 S117 I125 P126A57-L121 HydrophobicContact CB-CD1 4.37Å; A57-L121 HydrophobicContact CB-CD2 3.96Å; A57-L121 HydrophobicContact CB-CG 3.84Å; S117-L121 WeakPolarHBondContact O-CG 3.33Å; S117-L121 PolarHBondContact O-N 2.97Å; L121-I125 HydrophobicContact CD2-CD1 4.15Å; L121-P126 VanDerWaalsContact O-CD 3.27Å; L121-P126 WeakPolarHBondContact O-CD 3.4Å; L121-P126 WeakPolarHBondContact O-CG 3.32Å
122N98.1Very high97.5Very high120 Ų12042.2 Ų42.264%0.64223%0.227SC*.Iπ-helixtrans-102-10-168.8-55.3-58.8000114.2D118D118-N122 WeakPolarHBondContact O-CB 3.5Å; D118-N122 PolarHBondContact O-N 2.92Å; D118-N122 PolarHBondContact O-ND2 3.31Å
123N97.8Very high97.3Very high54 Ų5446.8 Ų46.829%0.28925%0.247SC..Iπ-helixtrans-129.5-51.6-176.8-165.8-11.3000112.4I119 R127I119-N123 HydrophobicContact CG2-CB 4.4Å; I119-N123 WeakPolarHBondContact O-CA 3.48Å; I119-N123 WeakPolarHBondContact O-CB 3.44Å; I119-N123 PolarHBondContact O-N 3.14Å; N123-R127 WeakPolarHBondContact O-CD 3.15Å; N123-R127 VanDerWaalsContact O-CG 3.24Å; N123-R127 WeakPolarHBondContact O-CG 3.47Å; N123-R127 PolarHBondContact O-N 3.32Å; N123-R127 PolarHBondContact OD1-NE 3.06Å; N123-R127 PolarHBondContact OD1-NH2 3.28Å
124I98.1Very high96.9Very high0 Ų047.5 Ų47.50%025%0.251CS..Iπ-helixtrans-77.2-52.1-174-56-166.5000112.4F53 I119 Y120 R127 F128 T294 F295F53-I124 HydrophobicContact CD1-CG2 4.29Å; F53-I124 HydrophobicContact CD2-CG2 3.91Å; F53-I124 HydrophobicContact CE1-CD1 4.38Å; F53-I124 HydrophobicContact CE1-CG2 4.44Å; F53-I124 HydrophobicContact CE2-CG2 4.08Å; F53-I124 HydrophobicContact CG-CG2 4.03Å; F53-I124 HydrophobicContact CZ-CG2 4.35Å; I119-I124 HydrophobicContact CG2-CD1 4.26Å; I119-I124 HydrophobicContact CG2-CG1 4.16Å; I119-I124 PolarHBondContact O-N 2.91Å; Y120-I124 HydrophobicContact CD1-CD1 3.73Å; Y120-I124 HydrophobicContact CD1-CG1 4.41Å; Y120-I124 HydrophobicContact CE1-CD1 4.09Å; Y120-I124 PolarHBondContact O-N 3.13Å; I124-R127 WeakPolarHBondContact O-CB 3.4Å; I124-R127 PolarHBondContact O-N 3.17Å; I124-R127 VanDerWaalsContact O-N 3.15Å; I124-F128 HydrophobicContact CG2-CD2 3.94Å; I124-F128 HydrophobicContact CG2-CE2 3.4Å; I124-F128 VanDerWaalsContact CG2-CE2 3.4Å; I124-F128 HydrophobicContact CG2-CZ 4.23Å; I124-F128 WeakPolarHBondContact O-CD2 3.46Å; I124-F128 PolarHBondContact O-N 2.69Å; I124-T294 HydrophobicContact CD1-CG2 4.29Å; I124-T294 HydrophobicContact CG1-CG2 3.97Å; I124-F295 HydrophobicContact CD1-CB 3.67Å
125I98.3Very high96.5Very high15 Ų1546.5 Ų46.58%0.07725%0.246CC..Hα-helixtrans-60-45.9179.2-65.8167.5000111.4Q50 F53 R54 Y120 L121 R127 F128 V129Q50-I125 HydrophobicContact CB-CG2 4.49Å; Q50-I125 HydrophobicContact CG-CG2 4.42Å; F53-I125 HydrophobicContact CB-CD1 4.17Å; F53-I125 HydrophobicContact CB-CG1 3.77Å; R54-I125 HydrophobicContact CB-CD1 3.87Å; R54-I125 HydrophobicContact CG-CD1 4.37Å; Y120-I125 WeakPolarHBondContact O-CB 3.21Å; Y120-I125 VanDerWaalsContact O-CG1 3.31Å; Y120-I125 WeakPolarHBondContact O-CG1 3.48Å; Y120-I125 PolarHBondContact O-N 3.1Å; L121-I125 HydrophobicContact CD2-CD1 4.15Å; I125-R127 VanDerWaalsContact C-N 3.26Å; I125-R127 PolarHBondContact O-N 3.13Å; I125-F128 PolarHBondContact O-N 3.02Å; I125-V129 HydrophobicContact CG2-CG2 4.34Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.17Å
126P98.2Very high96Very high59 Ų5944.6 Ų44.638%0.38324%0.241SC..Hα-helixtrans-58.7-32.4175.6-28.437.8000114.1L121 Q130L121-P126 VanDerWaalsContact O-CD 3.27Å; L121-P126 WeakPolarHBondContact O-CD 3.4Å; L121-P126 WeakPolarHBondContact O-CG 3.32Å; P126-Q130 WeakPolarHBondContact O-CB 3.43Å; P126-Q130 PolarHBondContact O-N 2.73Å
127R97.2Very high95.6Very high76 Ų7650.8 Ų50.829%0.28726%0.264SS..Hα-helixtrans-65.1-43.9172.7-74.1171.9-165-66.4-8.5111.8N123 I124 I125 Q130 V131 A291N123-R127 WeakPolarHBondContact O-CD 3.15Å; N123-R127 VanDerWaalsContact O-CG 3.24Å; N123-R127 WeakPolarHBondContact O-CG 3.47Å; N123-R127 PolarHBondContact O-N 3.32Å; N123-R127 PolarHBondContact OD1-NE 3.06Å; N123-R127 PolarHBondContact OD1-NH2 3.28Å; I124-R127 WeakPolarHBondContact O-CB 3.4Å; I124-R127 PolarHBondContact O-N 3.17Å; I124-R127 VanDerWaalsContact O-N 3.15Å; I125-R127 VanDerWaalsContact C-N 3.26Å; I125-R127 PolarHBondContact O-N 3.13Å; R127-Q130 PolarHBondContact O-N 2.79Å; R127-V131 WeakPolarHBondContact O-CB 3.37Å; R127-V131 WeakPolarHBondContact O-CG2 3.43Å; R127-V131 PolarHBondContact O-N 2.64Å; R127-A291 HydrophobicContact CB-CB 4.22Å
128F97.4Very high95.1Very high0 Ų052.9 Ų52.90%028%0.275CS..Hα-helixtrans-68.1-37.7178.2-66.8-51.3000112.6L46 L49 Q50 F53 I124 I125 V131 S132 L288 A291 L292L46-F128 HydrophobicContact CD2-CD1 3.88Å; L49-F128 HydrophobicContact CB-CD2 4.13Å; L49-F128 HydrophobicContact CB-CE1 4.47Å; L49-F128 HydrophobicContact CB-CE2 4.07Å; L49-F128 HydrophobicContact CB-CG 4.35Å; L49-F128 HydrophobicContact CB-CZ 4.25Å; L49-F128 HydrophobicContact CD1-CD1 4.36Å; L49-F128 HydrophobicContact CD1-CE1 3.91Å; L49-F128 HydrophobicContact CD1-CZ 4.13Å; L49-F128 HydrophobicContact CD2-CZ 4.48Å; Q50-F128 HydrophobicContact CG-CB 3.51Å; F53-F128 HydrophobicContact CD2-CD2 4.32Å; F53-F128 AromaticContact CD2-CE2 3.61Å; F53-F128 HydrophobicContact CD2-CE2 3.61Å; F53-F128 AromaticContact CE2-CE2 3.73Å; F53-F128 HydrophobicContact CE2-CE2 3.73Å; F53-F128 HydrophobicContact CE2-CZ 4.27Å; I124-F128 HydrophobicContact CG2-CD2 3.94Å; I124-F128 HydrophobicContact CG2-CE2 3.4Å; I124-F128 VanDerWaalsContact CG2-CE2 3.4Å; I124-F128 HydrophobicContact CG2-CZ 4.23Å; I124-F128 WeakPolarHBondContact O-CD2 3.46Å; I124-F128 PolarHBondContact O-N 2.69Å; I125-F128 PolarHBondContact O-N 3.02Å; F128-V131 PolarHBondContact O-N 3.02Å; F128-S132 WeakPolarHBondContact O-CB 3.39Å; F128-S132 PolarHBondContact O-N 3.36Å; F128-L288 HydrophobicContact CE1-CD1 3.7Å; F128-L288 HydrophobicContact CZ-CD1 4.42Å; F128-A291 HydrophobicContact CD1-CB 4.21Å; F128-A291 HydrophobicContact CE1-CB 3.53Å; F128-A291 HydrophobicContact CE2-CB 4.38Å; F128-A291 HydrophobicContact CZ-CB 3.64Å; F128-L292 HydrophobicContact CZ-CD2 4.29Å
129V96.4Very high94.6Very high51 Ų5151.3 Ų51.331%0.30927%0.265SS..Hα-helixtrans-56.3-53.9170.11750000110.1Q50 I125 V131 S132 E133Q50-V129 HydrophobicContact CG-CG2 4.46Å; I125-V129 HydrophobicContact CG2-CG2 4.34Å; I125-V129 WeakPolarHBondContact O-CG2 3.36Å; I125-V129 PolarHBondContact O-N 3.17Å; V129-V131 PolarHBondContact O-N 3.14Å; V129-S132 WeakPolarHBondContact O-CB 3.43Å; V129-S132 PolarHBondContact O-N 3.44Å; V129-S132 VanDerWaalsContact O-N 3.13Å; V129-E133 PolarHBondContact O-N 3.15Å
130Q94.8Very high94.2Very high108 Ų10855.5 Ų55.551%0.50528%0.282SS..Hα-helixtrans-59.3-45-180-168.9-159.9-34.600111.9P126 R127 S132 E133 D134P126-Q130 WeakPolarHBondContact O-CB 3.43Å; P126-Q130 PolarHBondContact O-N 2.73Å; R127-Q130 PolarHBondContact O-N 2.79Å; Q130-S132 VanDerWaalsContact C-N 3.29Å; Q130-S132 PolarHBondContact O-N 2.79Å; Q130-E133 PolarHBondContact O-N 3.1Å; Q130-D134 PolarHBondContact NE2-OD2 3.35Å; Q130-D134 VanDerWaalsContact O-CB 3.32Å; Q130-D134 WeakPolarHBondContact O-CB 3.43Å; Q130-D134 PolarHBondContact O-N 3.46Å
131V94.6Very high93.9Very high9 Ų961.5 Ų61.56%0.05531%0.308CS..Hα-helixtrans-64.2-35.9178.4174.70000111.1L46 R127 F128 V129 D134 S135 Y284L46-V131 HydrophobicContact CD1-CG1 3.88Å; L46-V131 HydrophobicContact CD2-CB 4.39Å; L46-V131 HydrophobicContact CD2-CG1 3.94Å; R127-V131 WeakPolarHBondContact O-CB 3.37Å; R127-V131 WeakPolarHBondContact O-CG2 3.43Å; R127-V131 PolarHBondContact O-N 2.64Å; F128-V131 PolarHBondContact O-N 3.02Å; V129-V131 PolarHBondContact O-N 3.14Å; V131-D134 PolarHBondContact O-N 3.41Å; V131-S135 WeakPolarHBondContact O-CB 3.4Å; V131-S135 PolarHBondContact O-N 3.15Å; V131-S135 PolarHBondContact O-OG 2.82Å; V131-S135 VanDerWaalsContact O-OG 3.14Å; V131-Y284 HydrophobicContact CG1-CD2 4.09Å; V131-Y284 HydrophobicContact CG1-CE2 4.49Å
132S92.9Very high93.4Very high25 Ų2558.2 Ų58.218%0.17529%0.291CS..Hα-helixtrans-64.9-44.4175.2-170.10000112F128 V129 Q130 G136F128-S132 WeakPolarHBondContact O-CB 3.39Å; F128-S132 PolarHBondContact O-N 3.36Å; V129-S132 WeakPolarHBondContact O-CB 3.43Å; V129-S132 PolarHBondContact O-N 3.44Å; V129-S132 VanDerWaalsContact O-N 3.13Å; Q130-S132 VanDerWaalsContact C-N 3.29Å; Q130-S132 PolarHBondContact O-N 2.79Å; S132-G136 PolarHBondContact O-N 3.27Å
133E92.9Very high93Very high130 Ų13056 Ų5661%0.60728%0.276SS*.Hα-helixtrans-64.1-44.6174.9-67.9179.1177.600112.2V129 Q130 G136 R137V129-E133 PolarHBondContact O-N 3.15Å; Q130-E133 PolarHBondContact O-N 3.1Å; E133-G136 PolarHBondContact O-N 3.22Å; E133-R137 WeakPolarHBondContact O-CB 3.29Å; E133-R137 PolarHBondContact O-N 3.24Å
134D90.8Very high92.8Very high39 Ų3958.6 Ų58.621%0.20929%0.286CS..Hα-helixtrans-64.3-44.5177.9-76.8-28000111.2Q130 V131 R137 L138Q130-D134 PolarHBondContact NE2-OD2 3.35Å; Q130-D134 VanDerWaalsContact O-CB 3.32Å; Q130-D134 WeakPolarHBondContact O-CB 3.43Å; Q130-D134 PolarHBondContact O-N 3.46Å; V131-D134 PolarHBondContact O-N 3.41Å; D134-R137 PolarHBondContact O-N 3.44Å; D134-R137 IonicContact OD1-CZ 3.21Å; D134-R137 IonicContact OD1-NH1 3.62Å; D134-R137 PolarHBondContact OD1-NH1 3.38Å; D134-R137 IonicContact OD1-NH2 2.89Å; D134-R137 PolarHBondContact OD1-NH2 3.21Å; D134-L138 WeakPolarHBondContact O-CB 3.37Å; D134-L138 VanDerWaalsContact O-CG 3.32Å; D134-L138 WeakPolarHBondContact O-CG 2.9Å; D134-L138 PolarHBondContact O-N 2.95Å
135S89.4Confident92.5Very high20 Ų2061.9 Ų61.914%0.1431%0.306CS..Hα-helixtrans-63.3-44.8175.3-76.70000112.2V131 R137 L138 F139V131-S135 WeakPolarHBondContact O-CB 3.4Å; V131-S135 PolarHBondContact O-N 3.15Å; V131-S135 PolarHBondContact O-OG 2.82Å; V131-S135 VanDerWaalsContact O-OG 3.14Å; S135-R137 VanDerWaalsContact C-N 3.32Å; S135-R137 PolarHBondContact O-N 3.26Å; S135-L138 PolarHBondContact O-N 3.4Å; S135-F139 VanDerWaalsContact O-CB 3.24Å; S135-F139 WeakPolarHBondContact O-CB 3.34Å; S135-F139 PolarHBondContact O-N 2.92Å
136G88.1Confident92.2Very high35 Ų3561.3 Ų61.336%0.36130%0.304SS..Hα-helixtrans-61.1-40175.900000112.7S132 E133 K140S132-G136 PolarHBondContact O-N 3.27Å; E133-G136 PolarHBondContact O-N 3.22Å; G136-K140 PolarHBondContact O-N 3.33Å
137R90.4Very high92Very high133 Ų13362.2 Ų62.250%0.50230%0.303SS..Hα-helixtrans-68.2-44175.7-175.1-17667.7-115-4.8112.5E133 D134 S135 K141E133-R137 WeakPolarHBondContact O-CB 3.29Å; E133-R137 PolarHBondContact O-N 3.24Å; D134-R137 PolarHBondContact O-N 3.44Å; D134-R137 IonicContact OD1-CZ 3.21Å; D134-R137 IonicContact OD1-NH1 3.62Å; D134-R137 PolarHBondContact OD1-NH1 3.38Å; D134-R137 IonicContact OD1-NH2 2.89Å; D134-R137 PolarHBondContact OD1-NH2 3.21Å; S135-R137 VanDerWaalsContact C-N 3.32Å; S135-R137 PolarHBondContact O-N 3.26Å; R137-K141 PolarHBondContact O-N 3.13Å
138L88.1Confident91.9Very high46 Ų4663.3 Ų63.324%0.24131%0.311CS..Hα-helixtrans-67.4-45.5179.4-78.1167.7000111.4D134 S135 K140 K141 S142 L282D134-L138 WeakPolarHBondContact O-CB 3.37Å; D134-L138 VanDerWaalsContact O-CG 3.32Å; D134-L138 WeakPolarHBondContact O-CG 2.9Å; D134-L138 PolarHBondContact O-N 2.95Å; S135-L138 PolarHBondContact O-N 3.4Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.5Å; L138-K141 PolarHBondContact O-N 3.48Å; L138-K141 VanDerWaalsContact O-N 3.1Å; L138-S142 PolarHBondContact O-N 3.11Å; L138-S142 PolarHBondContact O-OG 3.39Å; L138-L282 WeakPolarHBondContact CD1-O 3.43Å; L138-L282 HydrophobicContact CD2-CD2 4.16Å
139F88.1Confident91.8Very high36 Ų3665.4 Ų65.416%0.15832%0.322CS..Hα-helixtrans-58.1-44.4178.8-179.9-106.9000112.1L35 D36 C39 S135 K141 S142 K143L35-F139 HydrophobicContact CB-CE2 4.28Å; L35-F139 WeakPolarHBondContact O-CE2 3.49Å; D36-F139 HydrophobicContact CB-CZ 4.47Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.47Å; D36-F139 VanDerWaalsContact OD1-CZ 3.22Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.45Å; C39-F139 HydrophobicContact CB-CB 4.38Å; C39-F139 HydrophobicContact CB-CD1 3.73Å; C39-F139 HydrophobicContact CB-CD2 3.52Å; C39-F139 HydrophobicContact CB-CE1 3.85Å; C39-F139 HydrophobicContact CB-CE2 3.65Å; C39-F139 HydrophobicContact CB-CG 3.57Å; C39-F139 HydrophobicContact CB-CZ 3.83Å; C39-F139 VanDerWaalsContact SG-CB 3.53Å; C39-F139 WeakPolarHBondContact SG-CD1 3.32Å; C39-F139 WeakPolarHBondContact SG-CG 3.19Å; S135-F139 VanDerWaalsContact O-CB 3.24Å; S135-F139 WeakPolarHBondContact O-CB 3.34Å; S135-F139 PolarHBondContact O-N 2.92Å; F139-K141 VanDerWaalsContact C-N 3.29Å; F139-K141 PolarHBondContact O-N 3.4Å; F139-S142 WeakPolarHBondContact O-CB 3.24Å; F139-S142 PolarHBondContact O-N 3.44Å; F139-S142 VanDerWaalsContact O-N 3.1Å; F139-K143 HydrophobicContact CE1-CD 4.31Å; F139-K143 HydrophobicContact CZ-CD 4.49Å; F139-K143 WeakPolarHBondContact O-CB 3.22Å; F139-K143 PolarHBondContact O-N 3.08Å
140K90.3Very high91.8Very high135 Ų13563.7 Ų63.759%0.58731%0.311SS*.Hα-helixtrans-55.6-43.6175.8-174.7-179.2175.2-174.40112.3G136 L138 K143 E144G136-K140 PolarHBondContact O-N 3.33Å; L138-K140 VanDerWaalsContact C-N 3.33Å; L138-K140 PolarHBondContact O-N 3.5Å; K140-K143 PolarHBondContact O-N 3.21Å; K140-E144 WeakPolarHBondContact CE-OE1 3Å; K140-E144 WeakPolarHBondContact O-CG 3.35Å; K140-E144 PolarHBondContact O-N 3.49Å; K140-E144 VanDerWaalsContact O-N 3.09Å
141K90.8Very high91.9Very high127 Ų12761.9 Ų61.955%0.55230%0.304SS*.Hα-helixtrans-68-40.3176.1-69.6-172.2172.4-166.70112.5R137 L138 F139 K143 E144 V145R137-K141 PolarHBondContact O-N 3.13Å; L138-K141 PolarHBondContact O-N 3.48Å; L138-K141 VanDerWaalsContact O-N 3.1Å; F139-K141 VanDerWaalsContact C-N 3.29Å; F139-K141 PolarHBondContact O-N 3.4Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 2.92Å; K141-E144 PolarHBondContact O-N 3.29Å; K141-V145 WeakPolarHBondContact O-CG2 3.43Å; K141-V145 PolarHBondContact O-N 3.03Å
142S89.3Confident91.9Very high5 Ų564.4 Ų64.44%0.03532%0.318CS..Hα-helixtrans-59.1-41.6176.6-49.20000111L138 F139 V145 G146 C279L138-S142 PolarHBondContact O-N 3.11Å; L138-S142 PolarHBondContact O-OG 3.39Å; F139-S142 WeakPolarHBondContact O-CB 3.24Å; F139-S142 PolarHBondContact O-N 3.44Å; F139-S142 VanDerWaalsContact O-N 3.1Å; S142-V145 PolarHBondContact O-N 2.92Å; S142-G146 PolarHBondContact O-N 3.32Å; S142-C279 VanDerWaalsContact OG-CB 3.31Å; S142-C279 WeakPolarHBondContact OG-CB 3.35Å; S142-C279 PolarHBondContact OG-O 3.2Å
143K90Very high92.1Very high74 Ų7463.6 Ų63.632%0.32231%0.311SS..Hα-helixtrans-64.9-42.6174.2-177.2164-164.1167.30113.1M32 D36 F139 K140 K141 G146 Q147M32-K143 HydrophobicContact SD-CD 4.24Å; M32-K143 HydrophobicContact SD-CG 3.78Å; D36-K143 WeakPolarHBondContact OD1-CE 3.47Å; D36-K143 IonicContact OD1-NZ 3.7Å; D36-K143 PolarHBondContact OD1-NZ 3.34Å; D36-K143 IonicContact OD2-NZ 2.71Å; D36-K143 PolarHBondContact OD2-NZ 2.89Å; F139-K143 HydrophobicContact CE1-CD 4.31Å; F139-K143 HydrophobicContact CZ-CD 4.49Å; F139-K143 WeakPolarHBondContact O-CB 3.22Å; F139-K143 PolarHBondContact O-N 3.08Å; K140-K143 PolarHBondContact O-N 3.21Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 2.92Å; K143-G146 PolarHBondContact O-N 2.95Å; K143-Q147 WeakPolarHBondContact O-CB 3.32Å; K143-Q147 PolarHBondContact O-N 3.26Å
144E92.5Very high92.2Very high108 Ų10858.4 Ų58.451%0.50529%0.288SS..Hα-helixtrans-60.7-43174.8-72.7165.6-173.600111.5K140 K141 Q148K140-E144 WeakPolarHBondContact CE-OE1 3Å; K140-E144 WeakPolarHBondContact O-CG 3.35Å; K140-E144 PolarHBondContact O-N 3.49Å; K140-E144 VanDerWaalsContact O-N 3.09Å; K141-E144 PolarHBondContact O-N 3.29Å; E144-Q148 PolarHBondContact O-N 3.45Å; E144-Q148 VanDerWaalsContact O-N 3.12Å
145V92.3Very high92.5Very high68 Ų6861.2 Ų61.241%0.41230%0.298SS..Hα-helixtrans-66.8-44.9175.2173.20000111.9K141 S142 Q147 Q148 L149K141-V145 WeakPolarHBondContact O-CG2 3.43Å; K141-V145 PolarHBondContact O-N 3.03Å; S142-V145 PolarHBondContact O-N 2.92Å; V145-Q147 PolarHBondContact O-N 2.9Å; V145-Q148 PolarHBondContact O-N 2.89Å; V145-L149 HydrophobicContact CG1-CD1 4Å; V145-L149 PolarHBondContact O-N 3.07Å; V145-L149 VanDerWaalsContact O-N 3.09Å
146G92.3Very high92.9Very high3 Ų361.8 Ų61.83%0.03130%0.301CS..Hα-helixtrans-60-43.8176.700000112.5S142 K143 L149 Q150S142-G146 PolarHBondContact O-N 3.32Å; K143-G146 PolarHBondContact O-N 2.95Å; G146-L149 PolarHBondContact O-N 3.34Å; G146-Q150 WeakPolarHBondContact O-CG 3.23Å; G146-Q150 PolarHBondContact O-N 2.88Å
147Q94Very high93.2Very high79 Ų7960.4 Ų60.437%0.36929%0.285SS..Hα-helixtrans-63.1-42.5176.3-172.263.358.800111.8M32 K143 V145 L149 Q150 D151M32-Q147 HydrophobicContact CE-CB 4.44Å; K143-Q147 WeakPolarHBondContact O-CB 3.32Å; K143-Q147 PolarHBondContact O-N 3.26Å; V145-Q147 PolarHBondContact O-N 2.9Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 3.1Å; Q147-Q150 PolarHBondContact O-N 3.41Å; Q147-D151 PolarHBondContact NE2-OD1 2.59Å; Q147-D151 WeakPolarHBondContact O-CB 3.4Å; Q147-D151 PolarHBondContact O-N 3.07Å
148Q95.3Very high93.3Very high98 Ų9858.1 Ų58.146%0.45828%0.282SS..Hα-helixtrans-59.2-44.2177.3179.262.451.700111.8E144 V145 D151 D152E144-Q148 PolarHBondContact O-N 3.45Å; E144-Q148 VanDerWaalsContact O-N 3.12Å; V145-Q148 PolarHBondContact O-N 2.89Å; Q148-D151 PolarHBondContact O-N 2.74Å; Q148-D152 VanDerWaalsContact NE2-CG 3.27Å; Q148-D152 PolarHBondContact NE2-OD1 3.11Å; Q148-D152 PolarHBondContact NE2-OD2 3.18Å; Q148-D152 PolarHBondContact O-N 3.35Å
149L94.8Very high93.6Very high45 Ų4561.6 Ų61.624%0.23630%0.297CS..Hα-helixtrans-67.2-37.7178.4-73.3163.2000112.5V145 G146 Q147 L153 Y267 D271 I275V145-L149 HydrophobicContact CG1-CD1 4Å; V145-L149 PolarHBondContact O-N 3.07Å; V145-L149 VanDerWaalsContact O-N 3.09Å; G146-L149 PolarHBondContact O-N 3.34Å; Q147-L149 VanDerWaalsContact C-N 3.34Å; Q147-L149 PolarHBondContact O-N 3.1Å; L149-L153 WeakPolarHBondContact O-CB 3.44Å; L149-L153 PolarHBondContact O-N 3.23Å; L149-Y267 HydrophobicContact CB-CD2 4.26Å; L149-Y267 HydrophobicContact CB-CE2 4.17Å; L149-D271 HydrophobicContact CD1-CB 4.32Å; L149-I275 HydrophobicContact CD1-CD1 3.68Å; L149-I275 HydrophobicContact CD1-CG1 4.08Å
150Q95.5Very high93.9Very high14 Ų1460 Ų607%0.06529%0.291CS..Hα-helixtrans-65.1-43.1172.5-71-172.61.200112.3L28 G146 Q147 L153 M154 Y267L28-Q150 HydrophobicContact CB-CG 4.23Å; L28-Q150 HydrophobicContact CD1-CB 4.14Å; L28-Q150 HydrophobicContact CD1-CG 4.18Å; L28-Q150 HydrophobicContact CD2-CG 4.22Å; L28-Q150 HydrophobicContact CG-CG 4.42Å; L28-Q150 PolarHBondContact O-NE2 2.89Å; L28-Q150 PolarHBondContact O-OE1 3.44Å; G146-Q150 WeakPolarHBondContact O-CG 3.23Å; G146-Q150 PolarHBondContact O-N 2.88Å; Q147-Q150 PolarHBondContact O-N 3.41Å; Q150-L153 PolarHBondContact O-N 3.12Å; Q150-M154 WeakPolarHBondContact O-CB 3.49Å; Q150-M154 VanDerWaalsContact O-CG 3.31Å; Q150-M154 WeakPolarHBondContact O-CG 3.39Å; Q150-M154 PolarHBondContact O-N 3.41Å; Q150-Y267 HydrophobicContact CG-CE2 4.05Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.5Å; Q150-Y267 PolarHBondContact NE2-OH 2.92Å
151D96.6Very high94Very high70 Ų7057.9 Ų57.937%0.37428%0.279SS..Hα-helixtrans-64-40.4178.1-76.40.4000111.6Q147 Q148 M154 K155Q147-D151 PolarHBondContact NE2-OD1 2.59Å; Q147-D151 WeakPolarHBondContact O-CB 3.4Å; Q147-D151 PolarHBondContact O-N 3.07Å; Q148-D151 PolarHBondContact O-N 2.74Å; D151-M154 PolarHBondContact O-N 3.24Å; D151-K155 WeakPolarHBondContact O-CG 3.19Å; D151-K155 PolarHBondContact O-N 3.5Å
152D96.3Very high94.2Very high62 Ų6254.8 Ų54.833%0.33227%0.274SS..Hα-helixtrans-68.9-42.4177-71.7-27.5000112.2Q148 M154 K155 V156Q148-D152 VanDerWaalsContact NE2-CG 3.27Å; Q148-D152 PolarHBondContact NE2-OD1 3.11Å; Q148-D152 PolarHBondContact NE2-OD2 3.18Å; Q148-D152 PolarHBondContact O-N 3.35Å; D152-M154 VanDerWaalsContact C-N 3.3Å; D152-M154 PolarHBondContact O-N 3.25Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 2.89Å; D152-K155 IonicContact OD1-NZ 3.5Å; D152-K155 PolarHBondContact OD1-NZ 3.38Å; D152-V156 PolarHBondContact O-N 3.02Å
153L96.3Very high94.5Very high8 Ų856.1 Ų56.14%0.04228%0.282CS..Hα-helixtrans-59.1-43172.4-179.762.2000111.6L28 L149 Q150 K155 V156 L157 V264 Y267 Y268L28-L153 HydrophobicContact CD1-CD2 4.35Å; L28-L153 HydrophobicContact CD2-CD2 4.27Å; L149-L153 WeakPolarHBondContact O-CB 3.44Å; L149-L153 PolarHBondContact O-N 3.23Å; Q150-L153 PolarHBondContact O-N 3.12Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.14Å; L153-V156 PolarHBondContact O-N 3.49Å; L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CG 3.29Å; L153-L157 PolarHBondContact O-N 3.18Å; L153-L157 VanDerWaalsContact O-N 3.16Å; L153-V264 HydrophobicContact CD1-CB 4.46Å; L153-V264 HydrophobicContact CD1-CG2 3.84Å; L153-Y267 HydrophobicContact CD2-CD1 3.71Å; L153-Y267 HydrophobicContact CD2-CD2 4.34Å; L153-Y267 HydrophobicContact CD2-CE1 4.28Å; L153-Y267 HydrophobicContact CD2-CG 3.76Å; L153-Y268 HydrophobicContact CD2-CE2 4.37Å
154M96.1Very high94.6Very high22 Ų2252.7 Ų52.711%0.10827%0.267CS..Hα-helixtrans-65.5-31.4177.4-75.3-59.1-39.600112.9V21 R25 L28 Q150 D151 D152 L157 N158V21-M154 HydrophobicContact CG1-CE 3.87Å; R25-M154 HydrophobicContact CB-SD 4.16Å; R25-M154 HydrophobicContact CG-SD 4.45Å; L28-M154 HydrophobicContact CD1-CG 4.01Å; L28-M154 HydrophobicContact CD1-SD 4.07Å; Q150-M154 WeakPolarHBondContact O-CB 3.49Å; Q150-M154 VanDerWaalsContact O-CG 3.31Å; Q150-M154 WeakPolarHBondContact O-CG 3.39Å; Q150-M154 PolarHBondContact O-N 3.41Å; D151-M154 PolarHBondContact O-N 3.24Å; D152-M154 VanDerWaalsContact C-N 3.3Å; D152-M154 PolarHBondContact O-N 3.25Å; M154-L157 HydrophobicContact SD-CD1 4.08Å; M154-N158 VanDerWaalsContact O-CG 3.23Å; M154-N158 PolarHBondContact O-N 3.38Å; M154-N158 VanDerWaalsContact O-N 3.12Å; M154-N158 PolarHBondContact O-ND2 2.83Å
155K96.6Very high94.7Very high97 Ų9752.8 Ų52.842%0.42227%0.266SS..Hα-helixtrans-62.8-50.1172.3-70.7162.6-155.7160.50111D151 D152 L153 L157 N158 E159D151-K155 WeakPolarHBondContact O-CG 3.19Å; D151-K155 PolarHBondContact O-N 3.5Å; D152-K155 WeakPolarHBondContact O-CB 3.39Å; D152-K155 PolarHBondContact O-N 2.89Å; D152-K155 IonicContact OD1-NZ 3.5Å; D152-K155 PolarHBondContact OD1-NZ 3.38Å; L153-K155 VanDerWaalsContact C-N 3.32Å; L153-K155 PolarHBondContact O-N 3.14Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 2.97Å; K155-N158 PolarHBondContact O-N 2.6Å; K155-E159 WeakPolarHBondContact O-CG 3.39Å; K155-E159 PolarHBondContact O-N 2.97Å
156V96.4Very high94.8Very high33 Ų3352.3 Ų52.320%0.226%0.263CS..Hα-helixtrans-59.2-40.9-179.3-179.40000111.6D152 L153 E159 L160 T260D152-V156 PolarHBondContact O-N 3.02Å; L153-V156 PolarHBondContact O-N 3.49Å; V156-E159 PolarHBondContact O-N 3.21Å; V156-L160 PolarHBondContact O-N 3.28Å; V156-L160 VanDerWaalsContact O-N 3.15Å; V156-T260 HydrophobicContact CG1-CG2 4.16Å
157L94.5Very high94.9Very high5 Ų554.3 Ų54.33%0.02627%0.27CS..Hα-helixtrans-63-42.2173.8-66.3170.7000112.6Y17 V21 I24 L153 M154 K155 E159 L160 Y161 T260 V264Y17-L157 WeakPolarHBondContact OH-CA 3.23Å; Y17-L157 WeakPolarHBondContact OH-CD2 3.42Å; Y17-L157 PolarHBondContact OH-O 3.08Å; V21-L157 HydrophobicContact CG1-CB 4.47Å; V21-L157 HydrophobicContact CG2-CB 4.25Å; V21-L157 HydrophobicContact CG2-CD2 4.43Å; I24-L157 HydrophobicContact CD1-CD1 4.12Å; I24-L157 HydrophobicContact CD1-CD2 4.34Å; I24-L157 HydrophobicContact CG2-CD1 3.98Å; L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CG 3.29Å; L153-L157 PolarHBondContact O-N 3.18Å; L153-L157 VanDerWaalsContact O-N 3.16Å; M154-L157 HydrophobicContact SD-CD1 4.08Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 2.97Å; L157-E159 VanDerWaalsContact C-N 3.33Å; L157-E159 PolarHBondContact O-N 3.06Å; L157-L160 PolarHBondContact O-N 3.31Å; L157-Y161 PolarHBondContact O-N 3.38Å; L157-T260 HydrophobicContact CD2-CG2 3.74Å; L157-V264 HydrophobicContact CD2-CG2 4.28Å
158N93.3Very high94.9Very high85 Ų8551.6 Ų51.646%0.45526%0.257SS..Hα-helixtrans-68.3-31.3176.9-69.8-42.2000112.6M154 K155 Y161M154-N158 VanDerWaalsContact O-CG 3.23Å; M154-N158 PolarHBondContact O-N 3.38Å; M154-N158 VanDerWaalsContact O-N 3.12Å; M154-N158 PolarHBondContact O-ND2 2.83Å; K155-N158 PolarHBondContact O-N 2.6Å; N158-Y161 WeakPolarHBondContact O-CB 3.46Å
159E95.2Very high94.9Very high119 Ų11951.8 Ų51.856%0.55626%0.259SS*.Hα-helixtrans-65.1-46.8174.6-74.2172.7-167.900111.2K155 V156 L157 Y161 S162 V163K155-E159 WeakPolarHBondContact O-CG 3.39Å; K155-E159 PolarHBondContact O-N 2.97Å; V156-E159 PolarHBondContact O-N 3.21Å; L157-E159 VanDerWaalsContact C-N 3.33Å; L157-E159 PolarHBondContact O-N 3.06Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 3.01Å; E159-S162 WeakPolarHBondContact O-CB 3.32Å; E159-S162 PolarHBondContact O-N 2.81Å; E159-S162 PolarHBondContact O-OG 3.05Å; E159-V163 PolarHBondContact O-N 3.47Å
160L94.4Very high94.9Very high3 Ų353.4 Ų53.42%0.01626%0.263CS..Hα-helixtrans-57.4-39.9179.8-172.162.8000112.6Y17 V156 L157 S162 V163 M164 Y253 A256 L257 T260Y17-L160 HydrophobicContact CE2-CD2 3.88Å; V156-L160 PolarHBondContact O-N 3.28Å; V156-L160 VanDerWaalsContact O-N 3.15Å; L157-L160 PolarHBondContact O-N 3.31Å; L160-S162 VanDerWaalsContact C-N 3.28Å; L160-S162 PolarHBondContact O-N 2.88Å; L160-V163 PolarHBondContact O-N 3.12Å; L160-M164 HydrophobicContact CD2-SD 4.47Å; L160-M164 HydrophobicContact CG-CG 4.45Å; L160-M164 HydrophobicContact CG-SD 4.03Å; L160-M164 WeakPolarHBondContact O-CB 3.36Å; L160-M164 WeakPolarHBondContact O-CG 3.45Å; L160-M164 PolarHBondContact O-N 3.1Å; L160-Y253 HydrophobicContact CD1-CD2 3.8Å; L160-Y253 HydrophobicContact CD1-CE2 3.76Å; L160-Y253 HydrophobicContact CG-CE2 4.39Å; L160-A256 HydrophobicContact CD1-CB 3.86Å; L160-L257 HydrophobicContact CD1-CB 4.2Å; L160-L257 HydrophobicContact CD2-CD1 3.83Å; L160-T260 HydrophobicContact CD2-CG2 3.92Å
161Y92.5Very high94.8Very high90 Ų9055.3 Ų55.335%0.35327%0.273SS..Hα-helixtrans-53.3-44.1172.7177.8-80.4000112.3I14 Y17 L157 N158 E159 K165I14-Y161 HydrophobicContact CD1-CD2 4.16Å; I14-Y161 HydrophobicContact CD1-CE2 4.1Å; I14-Y161 HydrophobicContact CG2-CD2 4.26Å; I14-Y161 HydrophobicContact CG2-CE2 3.44Å; I14-Y161 VanDerWaalsContact CG2-CE2 3.44Å; Y17-Y161 HydrophobicContact CD1-CD2 4.38Å; L157-Y161 PolarHBondContact O-N 3.38Å; N158-Y161 WeakPolarHBondContact O-CB 3.46Å; E159-Y161 VanDerWaalsContact C-N 3.29Å; E159-Y161 PolarHBondContact O-N 3.01Å; Y161-K165 HydrophobicContact CE1-CD 4.44Å; Y161-K165 WeakPolarHBondContact O-CB 3.22Å; Y161-K165 PolarHBondContact O-N 3.44Å; Y161-K165 VanDerWaalsContact O-N 3.13Å
162S93.3Very high94.7Very high62 Ų6254.7 Ų54.743%0.43428%0.278SS..Hα-helixtrans-69.8-38.1-178.279.70000112.4E159 L160 T166E159-S162 WeakPolarHBondContact O-CB 3.32Å; E159-S162 PolarHBondContact O-N 2.81Å; E159-S162 PolarHBondContact O-OG 3.05Å; L160-S162 VanDerWaalsContact C-N 3.28Å; L160-S162 PolarHBondContact O-N 2.88Å; S162-T166 WeakPolarHBondContact O-CB 3.45Å; S162-T166 PolarHBondContact O-N 3.24Å; S162-T166 VanDerWaalsContact O-N 3.14Å; S162-T166 PolarHBondContact O-OG1 3.34Å
163V95.4Very high94.6Very high33 Ų3355.4 Ų55.420%0.228%0.282CS..Hα-helixtrans-70.3-44178.2-175.90000110.5E159 L160 K165 T166 Y167 E252 Y253 A256E159-V163 PolarHBondContact O-N 3.47Å; L160-V163 PolarHBondContact O-N 3.12Å; V163-K165 PolarHBondContact O-N 2.95Å; V163-T166 WeakPolarHBondContact O-CB 3.43Å; V163-T166 PolarHBondContact O-N 3.33Å; V163-Y167 PolarHBondContact O-N 3.39Å; V163-E252 HydrophobicContact CG1-CB 4.18Å; V163-Y253 VanDerWaalsContact CG1-CA 3.48Å; V163-A256 HydrophobicContact CB-CB 4.44Å; V163-A256 HydrophobicContact CG1-CB 4.31Å; V163-A256 HydrophobicContact CG2-CB 4.25Å
164M93.8Very high94.5Very high3 Ų355.5 Ų55.52%0.01528%0.283CS..Hα-helixtrans-54.8-51.5173.7-80.517138.300112.2I13 I14 Y17 L160 T166 Y167 H168 Y253I13-M164 HydrophobicContact CG2-CE 4Å; I14-M164 HydrophobicContact CD1-CB 4.42Å; I14-M164 HydrophobicContact CD1-CE 3.86Å; Y17-M164 HydrophobicContact CD1-CE 4.14Å; Y17-M164 HydrophobicContact CD1-SD 4.36Å; Y17-M164 HydrophobicContact CD2-SD 4.35Å; Y17-M164 HydrophobicContact CG-CE 3.91Å; Y17-M164 HydrophobicContact CG-SD 4.21Å; L160-M164 HydrophobicContact CD2-SD 4.47Å; L160-M164 HydrophobicContact CG-CG 4.45Å; L160-M164 HydrophobicContact CG-SD 4.03Å; L160-M164 WeakPolarHBondContact O-CB 3.36Å; L160-M164 WeakPolarHBondContact O-CG 3.45Å; L160-M164 PolarHBondContact O-N 3.1Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 3.29Å; M164-Y167 WeakPolarHBondContact O-CB 3.17Å; M164-Y167 PolarHBondContact O-N 3.24Å; M164-H168 VanDerWaalsContact O-CG 3.25Å; M164-H168 PolarHBondContact O-N 2.7Å; M164-H168 PolarHBondContact O-ND1 3.41Å; M164-Y253 HydrophobicContact CB-CE2 4.49Å; M164-Y253 HydrophobicContact CG-CD2 3.52Å; M164-Y253 HydrophobicContact CG-CE2 3.14Å; M164-Y253 HydrophobicContact CG-CG 4.4Å; M164-Y253 HydrophobicContact SD-CE2 3.82Å
165K93.1Very high94.3Very high110 Ų11058 Ų5848%0.47830%0.296SS..Hα-helixtrans-60.3-38.6179.1-173.8176.1176.1178.20112.2Y161 V163 H168 M169Y161-K165 HydrophobicContact CE1-CD 4.44Å; Y161-K165 WeakPolarHBondContact O-CB 3.22Å; Y161-K165 PolarHBondContact O-N 3.44Å; Y161-K165 VanDerWaalsContact O-N 3.13Å; V163-K165 PolarHBondContact O-N 2.95Å; K165-H168 PolarHBondContact O-N 2.82Å; K165-M169 WeakPolarHBondContact O-CB 3.23Å; K165-M169 PolarHBondContact O-N 2.92Å
166T94.4Very high94.1Very high57 Ų5755.7 Ų55.735%0.3529%0.292SS..Hα-helixtrans-65.4-43.2176.3-59.30000111.6S162 V163 M164 Y170S162-T166 WeakPolarHBondContact O-CB 3.45Å; S162-T166 PolarHBondContact O-N 3.24Å; S162-T166 VanDerWaalsContact O-N 3.14Å; S162-T166 PolarHBondContact O-OG1 3.34Å; V163-T166 WeakPolarHBondContact O-CB 3.43Å; V163-T166 PolarHBondContact O-N 3.33Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 3.29Å; T166-Y170 HydrophobicContact CG2-CD2 3.9Å; T166-Y170 HydrophobicContact CG2-CE2 3.48Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.48Å; T166-Y170 VanDerWaalsContact O-CD2 3.28Å; T166-Y170 WeakPolarHBondContact O-CD2 3.31Å; T166-Y170 PolarHBondContact O-N 3.33Å
167Y95.9Very high93.9Very high46 Ų4654.6 Ų54.618%0.1829%0.286CS..Hα-helixtrans-61.5-48.3172.3164.3-117.5000112.1V163 M164 M169 Y170 N171 R250 Y253V163-Y167 PolarHBondContact O-N 3.39Å; M164-Y167 WeakPolarHBondContact O-CB 3.17Å; M164-Y167 PolarHBondContact O-N 3.24Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 2.87Å; Y167-Y170 PolarHBondContact O-N 3.48Å; Y167-N171 HydrophobicContact CD2-CB 4.27Å; Y167-N171 HydrophobicContact CE2-CB 3.83Å; Y167-N171 WeakPolarHBondContact O-CB 3.33Å; Y167-N171 PolarHBondContact O-N 2.88Å; Y167-R250 HydrophobicContact CD2-CB 3.65Å; Y167-R250 HydrophobicContact CD2-CG 4.2Å; Y167-R250 HydrophobicContact CE2-CB 3.57Å; Y167-R250 HydrophobicContact CE2-CG 3.78Å; Y167-Y253 HydrophobicContact CD1-CD1 4.07Å
168H94.1Very high93.8Very high22 Ų2257.3 Ų57.310%0.10230%0.299CS..Hα-helixtrans-57.7-42.7180-64.6160.2000112.4D10 M164 K165 A172D10-H168 HydrophobicContact CB-CB 4.1Å; D10-H168 IonicContact OD1-CE1 2.66Å; D10-H168 IonicContact OD1-CG 2.61Å; D10-H168 IonicContact OD1-ND1 2.63Å; D10-H168 PolarHBondContact OD1-ND1 3.43Å; M164-H168 VanDerWaalsContact O-CG 3.25Å; M164-H168 PolarHBondContact O-N 2.7Å; M164-H168 PolarHBondContact O-ND1 3.41Å; K165-H168 PolarHBondContact O-N 2.82Å; H168-A172 WeakPolarHBondContact O-CB 3.2Å; H168-A172 PolarHBondContact O-N 3.03Å
169M94.2Very high93.7Very high101 Ų10156.1 Ų56.150%0.49830%0.297SS..Hα-helixtrans-59.8-56.1176.4-178.5176.865.600111.9K165 Y167 N171 A172 D173K165-M169 WeakPolarHBondContact O-CB 3.23Å; K165-M169 PolarHBondContact O-N 2.92Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 2.87Å; M169-N171 VanDerWaalsContact C-N 3.31Å; M169-N171 PolarHBondContact O-N 2.91Å; M169-A172 PolarHBondContact O-N 3.2Å; M169-D173 PolarHBondContact O-N 2.92Å
170Y95.4Very high93.6Very high80 Ų8055.5 Ų55.531%0.31429%0.293SS..Hα-helixtrans-67.4-31.4-178.6-65.3-45.9000113.1T166 Y167 D173 S174 K245 A249T166-Y170 HydrophobicContact CG2-CD2 3.9Å; T166-Y170 HydrophobicContact CG2-CE2 3.48Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.48Å; T166-Y170 VanDerWaalsContact O-CD2 3.28Å; T166-Y170 WeakPolarHBondContact O-CD2 3.31Å; T166-Y170 PolarHBondContact O-N 3.33Å; Y167-Y170 PolarHBondContact O-N 3.48Å; Y170-D173 PolarHBondContact O-N 3.1Å; Y170-S174 WeakPolarHBondContact O-CB 3.33Å; Y170-S174 PolarHBondContact O-N 2.94Å; Y170-K245 HydrophobicContact CD1-CB 4.35Å; Y170-K245 HydrophobicContact CG-CB 4.25Å; Y170-A249 HydrophobicContact CD2-CB 3.73Å; Y170-A249 HydrophobicContact CE2-CB 4.44Å
171N93.9Very high93.3Very high53 Ų5355.6 Ų55.628%0.28329%0.293SS..Hα-helixtrans-66.3-42.4174.2-169.844.1000111.6Y167 M169 S174 I175Y167-N171 HydrophobicContact CD2-CB 4.27Å; Y167-N171 HydrophobicContact CE2-CB 3.83Å; Y167-N171 WeakPolarHBondContact O-CB 3.33Å; Y167-N171 PolarHBondContact O-N 2.88Å; M169-N171 VanDerWaalsContact C-N 3.31Å; M169-N171 PolarHBondContact O-N 2.91Å; N171-S174 WeakPolarHBondContact O-CB 3.45Å; N171-S174 PolarHBondContact O-N 3.06Å; N171-I175 VanDerWaalsContact O-CG1 3.31Å; N171-I175 WeakPolarHBondContact O-CG1 3.41Å; N171-I175 PolarHBondContact O-N 3.16Å
172A93.3Very high93.2Very high58 Ų5856.3 Ų56.348%0.47930%0.298SS..Hα-helixtrans-62.5-41.9173.800000112.2H168 M169 S174 I175 S176H168-A172 WeakPolarHBondContact O-CB 3.2Å; H168-A172 PolarHBondContact O-N 3.03Å; M169-A172 PolarHBondContact O-N 3.2Å; A172-S174 VanDerWaalsContact C-N 3.34Å; A172-S174 PolarHBondContact O-N 3.46Å; A172-I175 PolarHBondContact O-N 2.82Å; A172-S176 WeakPolarHBondContact O-CB 3.23Å; A172-S176 PolarHBondContact O-N 3.36Å
173D93.6Very high93Very high77 Ų7758.2 Ų58.241%0.41230%0.3SS..Hα-helixtrans-64.4-35.7175.1-89.6-15.8000113.2M169 Y170 A177 N242M169-D173 PolarHBondContact O-N 2.92Å; Y170-D173 PolarHBondContact O-N 3.1Å; D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.33Å; D173-N242 PolarHBondContact O-ND2 3.19Å
174S94.6Very high92.5Very high10 Ų1056.7 Ų56.77%0.0729%0.291CS..Hα-helixtrans-65.8-48.7173.3179.60000111.5Y170 N171 A172 S176 A177 Q178 K243Y170-S174 WeakPolarHBondContact O-CB 3.33Å; Y170-S174 PolarHBondContact O-N 2.94Å; N171-S174 WeakPolarHBondContact O-CB 3.45Å; N171-S174 PolarHBondContact O-N 3.06Å; A172-S174 VanDerWaalsContact C-N 3.34Å; A172-S174 PolarHBondContact O-N 3.46Å; S174-S176 PolarHBondContact O-N 3.28Å; S174-A177 PolarHBondContact O-N 3.45Å; S174-Q178 WeakPolarHBondContact O-CB 3.49Å; S174-Q178 PolarHBondContact O-N 3.13Å; S174-K243 WeakPolarHBondContact OG-CA 3.39Å
175I92.8Very high92.1Very high75 Ų7559.3 Ų59.339%0.38530%0.303SS..Hα-helixtrans-61.6-43.4176.9-66.4164.2000110.7N171 A172 A177 Q178 S179N171-I175 VanDerWaalsContact O-CG1 3.31Å; N171-I175 WeakPolarHBondContact O-CG1 3.41Å; N171-I175 PolarHBondContact O-N 3.16Å; A172-I175 PolarHBondContact O-N 2.82Å; I175-A177 PolarHBondContact O-N 3.43Å; I175-Q178 PolarHBondContact O-N 2.75Å; I175-S179 PolarHBondContact O-N 3.39Å; I175-S179 PolarHBondContact O-OG 3.2Å
176S92.6Very high91.7Very high47 Ų4760.4 Ų60.433%0.32931%0.308SS..Hα-helixtrans-62-42.2176.6-167.10000112.3A172 S174 K180A172-S176 WeakPolarHBondContact O-CB 3.23Å; A172-S176 PolarHBondContact O-N 3.36Å; S174-S176 PolarHBondContact O-N 3.28Å; S176-K180 WeakPolarHBondContact O-CD 3.41Å; S176-K180 WeakPolarHBondContact O-CG 3.42Å; S176-K180 PolarHBondContact O-N 3.34Å; S176-K180 PolarHBondContact OG-NZ 3.15Å
177A91.6Very high91.1Very high10 Ų1061.7 Ų61.78%0.08331%0.31CS..Hα-helixtrans-66-39.6175.300000111.9D173 S174 I175 K180 L181 N242D173-A177 WeakPolarHBondContact O-CB 3.48Å; D173-A177 PolarHBondContact O-N 3.33Å; S174-A177 PolarHBondContact O-N 3.45Å; I175-A177 PolarHBondContact O-N 3.43Å; A177-K180 PolarHBondContact O-N 3.23Å; A177-L181 WeakPolarHBondContact O-CB 3.34Å; A177-L181 PolarHBondContact O-N 2.97Å; A177-N242 HydrophobicContact CB-CB 4.41Å
178Q92.5Very high90.3Very high63 Ų6361 Ų6129%0.29431%0.308SS..Hα-helixtrans-64.3-42.4177.3-163.4-174.921.700112.4S174 I175 L181 K182 Y239S174-Q178 WeakPolarHBondContact O-CB 3.49Å; S174-Q178 PolarHBondContact O-N 3.13Å; I175-Q178 PolarHBondContact O-N 2.75Å; Q178-L181 WeakPolarHBondContact O-CB 3.4Å; Q178-L181 PolarHBondContact O-N 3.43Å; Q178-K182 WeakPolarHBondContact O-CG 3.43Å; Q178-K182 PolarHBondContact O-N 3.32Å; Q178-Y239 HydrophobicContact CB-CD2 3.71Å; Q178-Y239 HydrophobicContact CB-CE2 3.59Å; Q178-Y239 HydrophobicContact CG-CD2 4.12Å; Q178-Y239 HydrophobicContact CG-CE2 3.63Å; Q178-Y239 PolarHBondContact NE2-OH 2.95Å
179S91.9Very high89.5Confident59 Ų5966.1 Ų66.141%0.41333%0.332SS..Hα-helixtrans-61.7-45.4175.5-65.30000111.4I175 L181 K182 E183I175-S179 PolarHBondContact O-N 3.39Å; I175-S179 PolarHBondContact O-OG 3.2Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.21Å; S179-K182 PolarHBondContact O-N 3.42Å; S179-E183 WeakPolarHBondContact O-CG 3.47Å; S179-E183 PolarHBondContact O-N 3.05Å
180K91.4Very high88.7Confident106 Ų10668.5 Ų68.546%0.46134%0.34SS..Hα-helixtrans-62.3-36.7175.5-70.5161.8-177.1151.60112S176 A177 A184 R235S176-K180 WeakPolarHBondContact O-CD 3.41Å; S176-K180 WeakPolarHBondContact O-CG 3.42Å; S176-K180 PolarHBondContact O-N 3.34Å; S176-K180 PolarHBondContact OG-NZ 3.15Å; A177-K180 PolarHBondContact O-N 3.23Å; K180-A184 PolarHBondContact O-N 2.9Å; K180-R235 VanDerWaalsContact O-CD 3.22Å; K180-R235 WeakPolarHBondContact O-CD 3.49Å; K180-R235 PolarHBondContact O-NH1 3.47Å
181L90.1Very high87.3Confident5 Ų567.9 Ų67.93%0.02634%0.34CS..Hα-helixtrans-64.1-52.3173.6173.761.7000111.1A177 Q178 S179 E183 A184 E185 K232 R235 Q236 Y239A177-L181 WeakPolarHBondContact O-CB 3.34Å; A177-L181 PolarHBondContact O-N 2.97Å; Q178-L181 WeakPolarHBondContact O-CB 3.4Å; Q178-L181 PolarHBondContact O-N 3.43Å; S179-L181 VanDerWaalsContact C-N 3.31Å; S179-L181 PolarHBondContact O-N 3.21Å; L181-E183 PolarHBondContact O-N 3.43Å; L181-A184 WeakPolarHBondContact O-CA 3.49Å; L181-A184 WeakPolarHBondContact O-CB 3.45Å; L181-A184 PolarHBondContact O-N 2.89Å; L181-E185 HydrophobicContact CD1-CG 4.25Å; L181-E185 HydrophobicContact CG-CG 4.48Å; L181-E185 WeakPolarHBondContact O-CG 3.28Å; L181-E185 PolarHBondContact O-N 3.33Å; L181-K232 HydrophobicContact CD1-CG 4.11Å; L181-R235 HydrophobicContact CB-CB 4.43Å; L181-R235 HydrophobicContact CD1-CB 4.27Å; L181-Q236 HydrophobicContact CD1-CB 4.07Å; L181-Q236 VanDerWaalsContact CD2-OE1 3.32Å; L181-Y239 HydrophobicContact CD2-CD1 3.42Å; L181-Y239 VanDerWaalsContact CD2-CD1 3.42Å; L181-Y239 HydrophobicContact CD2-CE1 4.04Å; L181-Y239 HydrophobicContact CD2-CG 3.94Å
182K89.9Confident85.9Confident106 Ų10669.3 Ų69.346%0.46135%0.347SS..Hα-helixtrans-57.9-33.4177.5-73.9178.9175.2179.10113.5Q178 S179 E185 K186Q178-K182 WeakPolarHBondContact O-CG 3.43Å; Q178-K182 PolarHBondContact O-N 3.32Å; S179-K182 PolarHBondContact O-N 3.42Å; K182-E185 WeakPolarHBondContact CA-OE2 3.47Å; K182-K186 WeakPolarHBondContact O-CB 3.47Å; K182-K186 VanDerWaalsContact O-CG 3.32Å; K182-K186 WeakPolarHBondContact O-CG 3.4Å; K182-K186 PolarHBondContact O-N 3.45Å
183E88.3Confident84.2Confident102 Ų10268.3 Ų68.348%0.47734%0.342SS..Hα-helixtrans-67.6-38.4171.8-75.6169.3-168.500112.9S179 L181 Q187S179-E183 WeakPolarHBondContact O-CG 3.47Å; S179-E183 PolarHBondContact O-N 3.05Å; L181-E183 PolarHBondContact O-N 3.43Å; E183-Q187 WeakPolarHBondContact O-CB 3.47Å; E183-Q187 VanDerWaalsContact O-CG 3.23Å; E183-Q187 WeakPolarHBondContact O-CG 3.32Å; E183-Q187 PolarHBondContact O-N 2.86Å
184A85.3Confident82.4Confident1 Ų172.4 Ų72.41%0.00836%0.356CS..Hα-helixtrans-71.8-39.1176.900000111.9K180 L181 Q187 E188 K232K180-A184 PolarHBondContact O-N 2.9Å; L181-A184 WeakPolarHBondContact O-CA 3.49Å; L181-A184 WeakPolarHBondContact O-CB 3.45Å; L181-A184 PolarHBondContact O-N 2.89Å; A184-Q187 PolarHBondContact O-N 3.49Å; A184-Q187 VanDerWaalsContact O-N 3.1Å; A184-E188 WeakPolarHBondContact O-CB 3.46Å; A184-E188 PolarHBondContact O-N 3.34Å; A184-K232 HydrophobicContact CB-CB 4.28Å
185E84.6Confident80.3Confident57 Ų5775.4 Ų75.427%0.26638%0.377SS..Hα-helixtrans-57.1-49.8171.3-68.4169.8151.700110.6L181 K182 Q187 E188 E189 K232L181-E185 HydrophobicContact CD1-CG 4.25Å; L181-E185 HydrophobicContact CG-CG 4.48Å; L181-E185 WeakPolarHBondContact O-CG 3.28Å; L181-E185 PolarHBondContact O-N 3.33Å; K182-E185 WeakPolarHBondContact CA-OE2 3.47Å; E185-Q187 VanDerWaalsContact C-N 3.25Å; E185-Q187 PolarHBondContact O-N 3.43Å; E185-E188 WeakPolarHBondContact O-CB 3.47Å; E185-E188 PolarHBondContact O-N 3.06Å; E185-E189 WeakPolarHBondContact O-CG 3.24Å; E185-E189 PolarHBondContact O-N 2.86Å; E185-K232 HydrophobicContact CG-CD 4.13Å; E185-K232 HydrophobicContact CG-CG 4.41Å
186K85.8Confident78.3Confident134 Ų13476 Ų7658%0.58338%0.384SS*.Hα-helixtrans-63.4-25.2174.4-74177.7177.9-1760114.2K182 K190K182-K186 WeakPolarHBondContact O-CB 3.47Å; K182-K186 VanDerWaalsContact O-CG 3.32Å; K182-K186 WeakPolarHBondContact O-CG 3.4Å; K182-K186 PolarHBondContact O-N 3.45Å; K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 WeakPolarHBondContact O-CD 3.26Å; K186-K190 WeakPolarHBondContact O-CG 3.45Å; K186-K190 PolarHBondContact O-N 2.94Å
187Q81.1Confident76.2Confident84 Ų8482.4 Ų82.439%0.39341%0.406SS..Hα-helixtrans-79.9-37.5175.4-77172.817.600111.9E183 A184 E185 K190 Q191 I228E183-Q187 WeakPolarHBondContact O-CB 3.47Å; E183-Q187 VanDerWaalsContact O-CG 3.23Å; E183-Q187 WeakPolarHBondContact O-CG 3.32Å; E183-Q187 PolarHBondContact O-N 2.86Å; A184-Q187 PolarHBondContact O-N 3.49Å; A184-Q187 VanDerWaalsContact O-N 3.1Å; E185-Q187 VanDerWaalsContact C-N 3.25Å; E185-Q187 PolarHBondContact O-N 3.43Å; Q187-K190 PolarHBondContact O-N 3.45Å; Q187-Q191 PolarHBondContact O-N 2.9Å; Q187-Q191 VanDerWaalsContact O-N 3.08Å; Q187-I228 HydrophobicContact CB-CD1 4.44Å
188E79.4Confident74.1Confident30 Ų3088 Ų8814%0.1443%0.43CS..Hα-helixtrans-63.1-53172.7-178-172.9-121.100110.7A184 E185 K190 Q191 I192 I228 K232A184-E188 WeakPolarHBondContact O-CB 3.46Å; A184-E188 PolarHBondContact O-N 3.34Å; E185-E188 WeakPolarHBondContact O-CB 3.47Å; E185-E188 PolarHBondContact O-N 3.06Å; E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 2.93Å; E188-Q191 PolarHBondContact O-N 3.18Å; E188-I192 HydrophobicContact CG-CD1 3.75Å; E188-I192 HydrophobicContact CG-CG1 4.5Å; E188-I192 WeakPolarHBondContact O-CG1 3.46Å; E188-I192 PolarHBondContact O-N 3.23Å; E188-I228 HydrophobicContact CB-CG2 3.97Å; E188-K232 WeakPolarHBondContact OE1-CD 3.29Å; E188-K232 IonicContact OE1-NZ 3.44Å; E188-K232 PolarHBondContact OE1-NZ 2.96Å; E188-K232 WeakPolarHBondContact OE2-CD 3.32Å; E188-K232 WeakPolarHBondContact OE2-CE 3.3Å; E188-K232 IonicContact OE2-NZ 3.4Å; E188-K232 PolarHBondContact OE2-NZ 3.19Å
189E77.9Confident72Confident130 Ų13092.5 Ų92.561%0.60745%0.451SS*.Hα-helixtrans-53.1-42.1173.6-72.6173.6173.300112.1E185 Q191 G193E185-E189 WeakPolarHBondContact O-CG 3.24Å; E185-E189 PolarHBondContact O-N 2.86Å; E189-Q191 PolarHBondContact O-N 3.17Å; E189-G193 PolarHBondContact O-N 3.22Å
190K75.6Confident69.7Low152 Ų15296.8 Ų96.866%0.66147%0.469SS*.Hα-helixtrans-68.7-27.4177.2-81.5176.6-179.5-178.20114.1K186 Q187 E188 K194K186-K190 WeakPolarHBondContact O-CB 3.49Å; K186-K190 WeakPolarHBondContact O-CD 3.26Å; K186-K190 WeakPolarHBondContact O-CG 3.45Å; K186-K190 PolarHBondContact O-N 2.94Å; Q187-K190 PolarHBondContact O-N 3.45Å; E188-K190 VanDerWaalsContact C-N 3.26Å; E188-K190 PolarHBondContact O-N 2.93Å; K190-K194 WeakPolarHBondContact O-CB 3.4Å; K190-K194 VanDerWaalsContact O-CG 3.27Å; K190-K194 WeakPolarHBondContact O-CG 3.2Å
191Q67.2Low67.7Low67 Ų67102.7 Ų102.731%0.31349%0.489SS..Hα-helixtrans-84.9-39.6174.9-73.7-162.2-0.900112Q187 E188 E189 K194 S195 I228Q187-Q191 PolarHBondContact O-N 2.9Å; Q187-Q191 VanDerWaalsContact O-N 3.08Å; E188-Q191 PolarHBondContact O-N 3.18Å; E189-Q191 PolarHBondContact O-N 3.17Å; Q191-K194 PolarHBondContact O-N 3.42Å; Q191-S195 PolarHBondContact O-N 3.47Å; Q191-I228 VanDerWaalsContact CD-CD1 3.41Å; Q191-I228 HydrophobicContact CG-CD1 4.22Å; Q191-I228 VanDerWaalsContact NE2-CD1 3.31Å
192I64.5Low65.4Low83 Ų83110.4 Ų110.443%0.42653%0.525SS..Hα-helixtrans-66-47.7175.7-63.4173.6000110.3E188 K194 S195 V196E188-I192 HydrophobicContact CG-CD1 3.75Å; E188-I192 HydrophobicContact CG-CG1 4.5Å; E188-I192 WeakPolarHBondContact O-CG1 3.46Å; E188-I192 PolarHBondContact O-N 3.23Å; I192-K194 VanDerWaalsContact C-N 3.27Å; I192-K194 PolarHBondContact O-N 3.24Å; I192-S195 WeakPolarHBondContact O-CA 3.42Å; I192-S195 VanDerWaalsContact O-CB 3.27Å; I192-S195 WeakPolarHBondContact O-CB 3.32Å; I192-S195 PolarHBondContact O-N 3.15Å; I192-V196 PolarHBondContact O-N 2.83Å
193G58Low63Low36 Ų36112 Ų11237%0.37154%0.544SS..Hα-helixtrans-65.4-24.3178.200000114.7E189 S195 K197E189-G193 PolarHBondContact O-N 3.22Å; G193-S195 VanDerWaalsContact C-N 3.34Å; G193-K197 PolarHBondContact O-N 3.17Å
194K55.2Low61.2Low164 Ų164112.7 Ų112.771%0.71356%0.557SS**Hα-helixtrans-72.9-26.5168.4-84.9-178.9176.4-171.50112.9K190 Q191 I192K190-K194 WeakPolarHBondContact O-CB 3.4Å; K190-K194 VanDerWaalsContact O-CG 3.27Å; K190-K194 WeakPolarHBondContact O-CG 3.2Å; Q191-K194 PolarHBondContact O-N 3.42Å; I192-K194 VanDerWaalsContact C-N 3.27Å; I192-K194 PolarHBondContact O-N 3.24Å
195S50.6Low59Low72 Ų72124.7 Ų124.750%0.50360%0.602SS.*Hα-helixtrans-76.5-33.7178.1-153.30000112.2Q191 I192 G193Q191-S195 PolarHBondContact O-N 3.47Å; I192-S195 WeakPolarHBondContact O-CA 3.42Å; I192-S195 VanDerWaalsContact O-CB 3.27Å; I192-S195 WeakPolarHBondContact O-CB 3.32Å; I192-S195 PolarHBondContact O-N 3.15Å; G193-S195 VanDerWaalsContact C-N 3.34Å
196V50.6Low57.1Low87 Ų87127.3 Ų127.353%0.52763%0.627SS.*Hα-helixtrans-73.4-43.2178.7-1800000112I192 Q198 E199I192-V196 PolarHBondContact O-N 2.83Å; V196-Q198 PolarHBondContact O-N 3.12Å; V196-E199 PolarHBondContact O-N 2.99Å; V196-E199 VanDerWaalsContact O-N 3.15Å
197K49.4Very low55.5Low182 Ų182126.2 Ų126.279%0.79163%0.633SS**THydrogen-bonded Turntrans-65.6-1.7-177.4-77.8-170173.9-172.40116G193G193-K197 PolarHBondContact O-N 3.17Å
198Q47.5Very low53.3Low129 Ų129129.8 Ų129.860%0.60366%0.655SS**THydrogen-bonded Turntrans-101.8-5.4176.7-149.9171.919.200113.6V196V196-Q198 PolarHBondContact O-N 3.12Å
199E48.6Very low51.6Low157 Ų157133.7 Ų133.773%0.73469%0.685SS**THydrogen-bonded Turntrans-89.2-25.9176.4-68.5-171.7139.800113.2V196 R201V196-E199 PolarHBondContact O-N 2.99Å; V196-E199 VanDerWaalsContact O-N 3.15Å; E199-R201 PolarHBondContact O-N 3.33Å
200D43.3Very low49.9Very low148 Ų148134 Ų13479%0.79170%0.697SS**SBendtrans-75.621.8-177.6-83.4-30.9000116.1
201R48.5Very low48.7Very low230 Ų230130.8 Ų130.887%0.86870%0.698SS**  trans-133.959.1179-116.7-170.6-176.5-167.71.2114.1E199E199-R201 PolarHBondContact O-N 3.33Å
202Q41.3Very low47.7Very low168 Ų168134.4 Ų134.479%0.78572%0.72SS**  trans-160.2104.5155.4-109.8146.637.300112.9
203T41.2Very low47Very low140 Ų140137.2 Ų137.286%0.85974%0.74SS**  trans-98.1162.916136.50000110.1
204P49.2Very low46.7Very low116 Ų116144.4 Ų144.475%0.75376%0.756SS**  trans-97150.6-135.335.2-37.7000116
205R39.2Very low46.6Very low252 Ų252142.3 Ų142.395%0.95175%0.751SS**  trans-166.4146.4137.6-101.8154.2-168.1-170.23.2110.5
206S44Very low46.5Very low113 Ų113146.7 Ų146.779%0.7976%0.764SS**  trans-84.2174.7177.345.40000111.9
207P54.2Low46.3Very low110 Ų110148.2 Ų148.271%0.71477%0.765SS**  cis-125.1-173.3-2.235.9-16.8000115.2
208D34.4Very low46.4Very low160 Ų160146.9 Ų146.986%0.85676%0.76SS**  trans71.8134.1167-62.9-17.7000120.8
209S43.7Very low46.7Very low111 Ų111147.7 Ų147.778%0.77676%0.763SS**  trans-140.1139.6-165.1-82.30000112.1
210T42.1Very low46.9Very low138 Ų138145 Ų14585%0.84776%0.757SS**  trans-175.480.1150.115.90000107.5
211A49.3Very low47.4Very low83 Ų83142.6 Ų142.669%0.68674%0.737SS**  6155.172.200000115.1
212N47.1Very low48Very low144 Ų144140.5 Ų140.577%0.7773%0.729SS**SBendtrans-139.50166.1-98.1-30.2000117.4
213V49.6Very low49Very low141 Ų141135.9 Ų135.986%0.85572%0.715SS**SBendtrans-105.3-11.1177.5-175.90000113I215V213-I215 PolarHBondContact O-N 2.98Å
214R51.3Low50.1Low187 Ų187131.3 Ų131.371%0.70669%0.689SS**Hα-helixtrans-86.9-2.2-170.8-116.1176.9179.3177.6-0.3115.7
215I53.4Low51.2Low120 Ų120128 Ų12862%0.61567%0.667SS**Hα-helixtrans-92.9-45.1-168.5-62179.1000112.3V213 K218 H219V213-I215 PolarHBondContact O-N 2.98Å; I215-K218 PolarHBondContact O-N 3.5Å; I215-H219 PolarHBondContact O-N 2.89Å
216E47.9Very low53Low164 Ų164122.4 Ų122.477%0.76665%0.649SS**Hα-helixtrans-64.3-44.7-177.7-66.6-170.1130.100112.6K218 H219 V220E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 3.19Å; E216-H219 PolarHBondContact O-N 2.81Å; E216-V220 PolarHBondContact O-N 3.46Å
217E47.7Very low54.7Low119 Ų119124.5 Ų124.556%0.55664%0.644SS**Hα-helixtrans-61.9-36.3178.8-115.2-150.6130.800112.8R221E217-R221 VanDerWaalsContact O-CG 3.31Å; E217-R221 WeakPolarHBondContact O-CG 3.45Å; E217-R221 PolarHBondContact O-N 2.86Å; E217-R221 IonicContact OE1-CZ 2.67Å; E217-R221 IonicContact OE1-NE 3.61Å; E217-R221 PolarHBondContact OE1-NE 3.44Å; E217-R221 IonicContact OE1-NH2 3.49Å; E217-R221 PolarHBondContact OE1-NH2 3.07Å; E217-R221 IonicContact OE2-NH2 3.34Å
218K50.8Low55.8Low155 Ų155120.2 Ų120.267%0.67462%0.615SS**Hα-helixtrans-66.9-36.6174.5-93.6-172.3170.9-173.60111.7I215 E216 R222I215-K218 PolarHBondContact O-N 3.5Å; E216-K218 VanDerWaalsContact C-N 3.3Å; E216-K218 PolarHBondContact O-N 3.19Å; K218-R222 WeakPolarHBondContact O-CB 3.31Å; K218-R222 PolarHBondContact O-N 3.27Å; K218-R222 VanDerWaalsContact O-N 3.16Å
219H54.2Low58Low146 Ų146117.6 Ų117.668%0.67660%0.598SS**Hα-helixtrans-71.8-41.9-179-150.4-104000112.2I215 E216 R222 S223I215-H219 PolarHBondContact O-N 2.89Å; E216-H219 PolarHBondContact O-N 2.81Å; H219-R222 PolarHBondContact O-N 3.14Å; H219-S223 PolarHBondContact O-N 2.67Å
220V52.9Low59.9Low100 Ų100119.5 Ų119.561%0.60659%0.592SS**Hα-helixtrans-61.3-47.9176.4175.80000111.1E216 R222 S223 S224E216-V220 PolarHBondContact O-N 3.46Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 2.93Å; V220-S223 PolarHBondContact O-N 3.18Å; V220-S223 VanDerWaalsContact O-N 3.1Å; V220-S223 PolarHBondContact O-OG 3.26Å; V220-S224 PolarHBondContact O-N 3.19Å
221R54Low62Low97 Ų97116.2 Ų116.237%0.36657%0.568SS.*Hα-helixtrans-64.2-34.4179.1-66.4175.1-172.4-165.26.6113.1E217 S223 S224 V225E217-R221 VanDerWaalsContact O-CG 3.31Å; E217-R221 WeakPolarHBondContact O-CG 3.45Å; E217-R221 PolarHBondContact O-N 2.86Å; E217-R221 IonicContact OE1-CZ 2.67Å; E217-R221 IonicContact OE1-NE 3.61Å; E217-R221 PolarHBondContact OE1-NE 3.44Å; E217-R221 IonicContact OE1-NH2 3.49Å; E217-R221 PolarHBondContact OE1-NH2 3.07Å; E217-R221 IonicContact OE2-NH2 3.34Å; R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.44Å; R221-S224 PolarHBondContact O-N 3.09Å; R221-S224 PolarHBondContact O-OG 3.36Å; R221-V225 PolarHBondContact O-N 2.98Å
222R59.7Low63.8Low186 Ų186115 Ų11570%0.70255%0.547SS*.Hα-helixtrans-69-25.3175.1-152.5175.9-166.1-175.15112.6K218 H219 V220K218-R222 WeakPolarHBondContact O-CB 3.31Å; K218-R222 PolarHBondContact O-N 3.27Å; K218-R222 VanDerWaalsContact O-N 3.16Å; H219-R222 PolarHBondContact O-N 3.14Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 2.93Å
223S62.6Low65.8Low71 Ų71114.6 Ų114.650%0.49754%0.541SS..Hα-helixtrans-79-35.1175.580.10000113.2H219 V220 R221 K227H219-S223 PolarHBondContact O-N 2.67Å; V220-S223 PolarHBondContact O-N 3.18Å; V220-S223 VanDerWaalsContact O-N 3.1Å; V220-S223 PolarHBondContact O-OG 3.26Å; R221-S223 VanDerWaalsContact C-N 3.27Å; R221-S223 PolarHBondContact O-N 3.44Å; S223-K227 WeakPolarHBondContact O-CB 3.34Å; S223-K227 PolarHBondContact O-N 2.87Å; S223-K227 VanDerWaalsContact O-N 3.16Å
224S65Low67.7Low45 Ų45115.7 Ų115.732%0.31553%0.534SS..Hα-helixtrans-69.6-40177.962.80000112.5V220 R221 K227 I228V220-S224 PolarHBondContact O-N 3.19Å; R221-S224 PolarHBondContact O-N 3.09Å; R221-S224 PolarHBondContact O-OG 3.36Å; S224-K227 WeakPolarHBondContact O-CB 3.49Å; S224-K227 PolarHBondContact O-N 2.97Å; S224-I228 PolarHBondContact O-N 3.45Å; S224-I228 VanDerWaalsContact O-N 3.09Å
225V71.8Confident69.6Low47 Ų47109.9 Ų109.929%0.28551%0.512SS..Hα-helixtrans-61.6-50.4176.6175.60000110.6R221 K227 I228 E229R221-V225 PolarHBondContact O-N 2.98Å; V225-K227 PolarHBondContact O-N 3.16Å; V225-K227 VanDerWaalsContact O-N 3.16Å; V225-I228 PolarHBondContact O-N 3.44Å; V225-E229 WeakPolarHBondContact O-CB 3.46Å; V225-E229 PolarHBondContact O-N 3.05Å
226K77.3Confident71.4Confident134 Ų134107.5 Ų107.558%0.58350%0.498SS*.Hα-helixtrans-56.6-31.9174.6-76.3-173.8171.3-169.70113.5K230K226-K230 WeakPolarHBondContact O-CB 3.37Å; K226-K230 PolarHBondContact O-N 2.67Å; K226-K230 VanDerWaalsContact O-N 3.07Å
227K79Confident73.4Confident156 Ų156102.7 Ų102.768%0.67849%0.487SS*.Hα-helixtrans-72.4-34.4176.8-170.3176.2-179178.30112.4S223 S224 V225 M231S223-K227 WeakPolarHBondContact O-CB 3.34Å; S223-K227 PolarHBondContact O-N 2.87Å; S223-K227 VanDerWaalsContact O-N 3.16Å; S224-K227 WeakPolarHBondContact O-CB 3.49Å; S224-K227 PolarHBondContact O-N 2.97Å; V225-K227 PolarHBondContact O-N 3.16Å; V225-K227 VanDerWaalsContact O-N 3.16Å; K227-M231 WeakPolarHBondContact O-CB 3.26Å; K227-M231 PolarHBondContact O-N 2.81Å
228I77.7Confident75.6Confident21 Ų21103 Ų10311%0.10849%0.486CS..Hα-helixtrans-76.9-41.2173.9-65-160.5000111.2Q187 E188 Q191 S224 V225 K230 M231 K232Q187-I228 HydrophobicContact CB-CD1 4.44Å; E188-I228 HydrophobicContact CB-CG2 3.97Å; Q191-I228 VanDerWaalsContact CD-CD1 3.41Å; Q191-I228 HydrophobicContact CG-CD1 4.22Å; Q191-I228 VanDerWaalsContact NE2-CD1 3.31Å; S224-I228 PolarHBondContact O-N 3.45Å; S224-I228 VanDerWaalsContact O-N 3.09Å; V225-I228 PolarHBondContact O-N 3.44Å; I228-K230 PolarHBondContact O-N 3.08Å; I228-M231 CarbonylContact O-C 3.52Å; I228-M231 WeakPolarHBondContact O-CA 3.24Å; I228-M231 WeakPolarHBondContact O-CB 3.34Å; I228-M231 PolarHBondContact O-N 3.42Å; I228-K232 PolarHBondContact O-N 3.13Å
229E80.6Confident77.6Confident104 Ų10497 Ų9749%0.48646%0.46SS..Hα-helixtrans-54.3-51.6174-173.5176-156.400110.9V225 M231 K232 E233V225-E229 WeakPolarHBondContact O-CB 3.46Å; V225-E229 PolarHBondContact O-N 3.05Å; E229-M231 VanDerWaalsContact C-N 3.27Å; E229-M231 PolarHBondContact O-N 3.49Å; E229-K232 WeakPolarHBondContact O-CB 3.31Å; E229-K232 PolarHBondContact O-N 2.99Å; E229-E233 WeakPolarHBondContact O-CB 3.32Å; E229-E233 PolarHBondContact O-N 3.13Å
230K84.6Confident79.5Confident152 Ų15293.9 Ų93.966%0.66145%0.451SS*.Hα-helixtrans-63.8-27.6173.6-168.6170.1-173170.50113.7K226 I228 K234K226-K230 WeakPolarHBondContact O-CB 3.37Å; K226-K230 PolarHBondContact O-N 2.67Å; K226-K230 VanDerWaalsContact O-N 3.07Å; I228-K230 PolarHBondContact O-N 3.08Å; K230-K234 WeakPolarHBondContact O-CB 3.01Å; K230-K234 PolarHBondContact O-N 3.09Å; K230-K234 VanDerWaalsContact O-N 3.15Å
231M84.6Confident81.4Confident69 Ų6993.7 Ų93.734%0.3444%0.443SS..Hα-helixtrans-73.2-42173.9-168.9-170.1-54.200111.5K227 I228 E229 K234 R235K227-M231 WeakPolarHBondContact O-CB 3.26Å; K227-M231 PolarHBondContact O-N 2.81Å; I228-M231 CarbonylContact O-C 3.52Å; I228-M231 WeakPolarHBondContact O-CA 3.24Å; I228-M231 WeakPolarHBondContact O-CB 3.34Å; I228-M231 PolarHBondContact O-N 3.42Å; E229-M231 VanDerWaalsContact C-N 3.27Å; E229-M231 PolarHBondContact O-N 3.49Å; M231-K234 PolarHBondContact O-N 2.96Å; M231-R235 WeakPolarHBondContact O-CG 3.34Å; M231-R235 PolarHBondContact O-N 3.42Å; M231-R235 PolarHBondContact SD-NH2 2.97Å
232K87.2Confident83.3Confident57 Ų5790 Ų9025%0.24843%0.43CS..Hα-helixtrans-62.2-49.1173.5172.4-175.5167.1-171.60110.3L181 A184 E185 E188 I228 E229 K234 R235 Q236L181-K232 HydrophobicContact CD1-CG 4.11Å; A184-K232 HydrophobicContact CB-CB 4.28Å; E185-K232 HydrophobicContact CG-CD 4.13Å; E185-K232 HydrophobicContact CG-CG 4.41Å; E188-K232 WeakPolarHBondContact OE1-CD 3.29Å; E188-K232 IonicContact OE1-NZ 3.44Å; E188-K232 PolarHBondContact OE1-NZ 2.96Å; E188-K232 WeakPolarHBondContact OE2-CD 3.32Å; E188-K232 WeakPolarHBondContact OE2-CE 3.3Å; E188-K232 IonicContact OE2-NZ 3.4Å; E188-K232 PolarHBondContact OE2-NZ 3.19Å; I228-K232 PolarHBondContact O-N 3.13Å; E229-K232 WeakPolarHBondContact O-CB 3.31Å; E229-K232 PolarHBondContact O-N 2.99Å; K232-K234 VanDerWaalsContact C-N 3.32Å; K232-K234 PolarHBondContact O-N 3.42Å; K232-R235 CarbonylContact O-C 3.49Å; K232-R235 WeakPolarHBondContact O-CA 3.46Å; K232-R235 PolarHBondContact O-N 2.95Å; K232-Q236 WeakPolarHBondContact O-CB 3.38Å; K232-Q236 PolarHBondContact O-N 3.44Å
233E89.4Confident85Confident135 Ų13585.5 Ų85.563%0.63142%0.416SS*.Hα-helixtrans-54.1-46.9176.1-172.8-173.7-159.600111.7E229 R235 Q236 A237E229-E233 WeakPolarHBondContact O-CB 3.32Å; E229-E233 PolarHBondContact O-N 3.13Å; E233-R235 VanDerWaalsContact C-N 3.34Å; E233-R235 PolarHBondContact O-N 3.2Å; E233-Q236 WeakPolarHBondContact O-CB 3.45Å; E233-Q236 PolarHBondContact O-N 3.5Å; E233-A237 PolarHBondContact O-N 3.34Å
234K90.1Very high86.5Confident165 Ų16586.7 Ų86.772%0.71742%0.416SS*.Hα-helixtrans-63.2-35.8175.1-173.4172.1-178174.10113.2K230 M231 K232 K238K230-K234 WeakPolarHBondContact O-CB 3.01Å; K230-K234 PolarHBondContact O-N 3.09Å; K230-K234 VanDerWaalsContact O-N 3.15Å; M231-K234 PolarHBondContact O-N 2.96Å; K232-K234 VanDerWaalsContact C-N 3.32Å; K232-K234 PolarHBondContact O-N 3.42Å; K234-K238 PolarHBondContact O-N 2.76Å
235R90.3Very high88Confident64 Ų6488.7 Ų88.724%0.24242%0.419CS..Hα-helixtrans-73.5-34.2174.5-70.4179.8-169-161.43.3111.9K180 L181 M231 K232 E233 K238 Y239K180-R235 VanDerWaalsContact O-CD 3.22Å; K180-R235 WeakPolarHBondContact O-CD 3.49Å; K180-R235 PolarHBondContact O-NH1 3.47Å; L181-R235 HydrophobicContact CB-CB 4.43Å; L181-R235 HydrophobicContact CD1-CB 4.27Å; M231-R235 WeakPolarHBondContact O-CG 3.34Å; M231-R235 PolarHBondContact O-N 3.42Å; M231-R235 PolarHBondContact SD-NH2 2.97Å; K232-R235 CarbonylContact O-C 3.49Å; K232-R235 WeakPolarHBondContact O-CA 3.46Å; K232-R235 PolarHBondContact O-N 2.95Å; E233-R235 VanDerWaalsContact C-N 3.34Å; E233-R235 PolarHBondContact O-N 3.2Å; R235-K238 PolarHBondContact O-N 2.79Å; R235-Y239 WeakPolarHBondContact O-CB 3.4Å; R235-Y239 PolarHBondContact O-N 3Å
236Q91.1Very high89Confident70 Ų7086.8 Ų86.833%0.32741%0.408SS..Hα-helixtrans-64.4-50.1175.7179.664.558.500110.4L181 K232 E233 K238 Y239 T240L181-Q236 HydrophobicContact CD1-CB 4.07Å; L181-Q236 VanDerWaalsContact CD2-OE1 3.32Å; K232-Q236 WeakPolarHBondContact O-CB 3.38Å; K232-Q236 PolarHBondContact O-N 3.44Å; E233-Q236 WeakPolarHBondContact O-CB 3.45Å; E233-Q236 PolarHBondContact O-N 3.5Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 3.17Å; Q236-Y239 PolarHBondContact O-N 3.13Å; Q236-T240 PolarHBondContact NE2-OG1 3.01Å; Q236-T240 PolarHBondContact O-N 2.75Å; Q236-T240 PolarHBondContact O-OG1 3.16Å; Q236-T240 VanDerWaalsContact O-OG1 3.08Å
237A91.6Very high89.9Confident63 Ų6383.4 Ų83.452%0.52140%0.396SS..Hα-helixtrans-56.8-47.4175.500000111.7E233 Y239 T240 E241E233-A237 PolarHBondContact O-N 3.34Å; A237-Y239 PolarHBondContact O-N 3.01Å; A237-T240 PolarHBondContact O-N 3.11Å; A237-E241 PolarHBondContact O-N 3.42Å
238K92.3Very high90.7Very high126 Ų12682.1 Ų82.155%0.54839%0.391SS..Hα-helixtrans-66.4-35.5178.3-172.8164.2-174.8166.50113.4K234 R235 Q236 N242K234-K238 PolarHBondContact O-N 2.76Å; R235-K238 PolarHBondContact O-N 2.79Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 3.17Å; K238-N242 WeakPolarHBondContact O-CB 3.43Å; K238-N242 PolarHBondContact O-N 3.23Å
239Y93.5Very high91.6Very high30 Ų3081.7 Ų81.712%0.11839%0.39CS..Hα-helixtrans-67.1-44172.3163.1-115.5000111.4Q178 L181 R235 Q236 A237 E241 N242 K243Q178-Y239 HydrophobicContact CB-CD2 3.71Å; Q178-Y239 HydrophobicContact CB-CE2 3.59Å; Q178-Y239 HydrophobicContact CG-CD2 4.12Å; Q178-Y239 HydrophobicContact CG-CE2 3.63Å; Q178-Y239 PolarHBondContact NE2-OH 2.95Å; L181-Y239 HydrophobicContact CD2-CD1 3.42Å; L181-Y239 VanDerWaalsContact CD2-CD1 3.42Å; L181-Y239 HydrophobicContact CD2-CE1 4.04Å; L181-Y239 HydrophobicContact CD2-CG 3.94Å; R235-Y239 WeakPolarHBondContact O-CB 3.4Å; R235-Y239 PolarHBondContact O-N 3Å; Q236-Y239 PolarHBondContact O-N 3.13Å; A237-Y239 PolarHBondContact O-N 3.01Å; Y239-E241 VanDerWaalsContact C-N 3.33Å; Y239-E241 PolarHBondContact O-N 3.04Å; Y239-N242 PolarHBondContact O-N 3.09Å; Y239-K243 HydrophobicContact CD2-CB 4.43Å; Y239-K243 HydrophobicContact CE1-CD 4.38Å; Y239-K243 HydrophobicContact CE2-CB 4.22Å; Y239-K243 HydrophobicContact CE2-CD 3.98Å; Y239-K243 WeakPolarHBondContact O-CB 3.34Å; Y239-K243 PolarHBondContact O-N 3.2Å; Y239-K243 PolarHBondContact OH-NZ 2.87Å
240T93.4Very high92.3Very high79 Ų7982 Ų8249%0.48539%0.387SS..Hα-helixtrans-59.3-43.8175.4-59.70000111.5Q236 A237 L244Q236-T240 PolarHBondContact NE2-OG1 3.01Å; Q236-T240 PolarHBondContact O-N 2.75Å; Q236-T240 PolarHBondContact O-OG1 3.16Å; Q236-T240 VanDerWaalsContact O-OG1 3.08Å; A237-T240 PolarHBondContact O-N 3.11Å; T240-L244 WeakPolarHBondContact O-CB 3.39Å; T240-L244 PolarHBondContact O-N 2.91Å
241E94.1Very high92.9Very high97 Ų9778.3 Ų78.345%0.45337%0.374SS..Hα-helixtrans-62.3-53.3176-169.5-160.7156.400112.2A237 Y239 K243 L244 K245A237-E241 PolarHBondContact O-N 3.42Å; Y239-E241 VanDerWaalsContact C-N 3.33Å; Y239-E241 PolarHBondContact O-N 3.04Å; E241-K243 VanDerWaalsContact C-N 3.3Å; E241-K243 PolarHBondContact O-N 3.29Å; E241-L244 PolarHBondContact O-N 3.31Å; E241-K245 PolarHBondContact O-N 2.98Å; E241-K245 WeakPolarHBondContact OE1-CE 3.21Å; E241-K245 IonicContact OE1-NZ 3.65Å; E241-K245 PolarHBondContact OE1-NZ 3.26Å
242N94.3Very high93.5Very high18 Ų1880.4 Ų80.410%0.09638%0.383CS..Hα-helixtrans-63.2-37.3179.7-77.710.5000111.8D173 A177 K238 Y239 K245 A246D173-N242 PolarHBondContact O-ND2 3.19Å; A177-N242 HydrophobicContact CB-CB 4.41Å; K238-N242 WeakPolarHBondContact O-CB 3.43Å; K238-N242 PolarHBondContact O-N 3.23Å; Y239-N242 PolarHBondContact O-N 3.09Å; N242-K245 PolarHBondContact O-N 3.37Å; N242-A246 WeakPolarHBondContact O-CB 3.49Å; N242-A246 PolarHBondContact O-N 3.03Å
243K93.9Very high93.9Very high93 Ų9380.1 Ų80.140%0.40438%0.381SS..Hα-helixtrans-65.1-40.8175.5-176.9174-176.5174.60111.6S174 Y239 E241 A246 I247S174-K243 WeakPolarHBondContact OG-CA 3.39Å; Y239-K243 HydrophobicContact CD2-CB 4.43Å; Y239-K243 HydrophobicContact CE1-CD 4.38Å; Y239-K243 HydrophobicContact CE2-CB 4.22Å; Y239-K243 HydrophobicContact CE2-CD 3.98Å; Y239-K243 WeakPolarHBondContact O-CB 3.34Å; Y239-K243 PolarHBondContact O-N 3.2Å; Y239-K243 PolarHBondContact OH-NZ 2.87Å; E241-K243 VanDerWaalsContact C-N 3.3Å; E241-K243 PolarHBondContact O-N 3.29Å; K243-A246 PolarHBondContact O-N 3.29Å; K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 WeakPolarHBondContact O-CB 3.39Å; K243-I247 VanDerWaalsContact O-CG1 3.25Å; K243-I247 WeakPolarHBondContact O-CG1 3.39Å; K243-I247 PolarHBondContact O-N 3.25Å
244L94.8Very high94.3Very high95 Ų9578.1 Ų78.150%0.49737%0.374SS..Hα-helixtrans-65.6-41.2175.3-176.560.6000111.6T240 E241 I247 K248T240-L244 WeakPolarHBondContact O-CB 3.39Å; T240-L244 PolarHBondContact O-N 2.91Å; E241-L244 PolarHBondContact O-N 3.31Å; L244-I247 PolarHBondContact O-N 2.99Å; L244-K248 WeakPolarHBondContact O-CG 3.36Å; L244-K248 PolarHBondContact O-N 3.34Å
245K95.6Very high94.6Very high87 Ų8775.7 Ų75.738%0.37837%0.368SS..Hα-helixtrans-60.7-45.1173.2-73.1172.9173.8171.30112Y170 E241 N242 K248 A249Y170-K245 HydrophobicContact CD1-CB 4.35Å; Y170-K245 HydrophobicContact CG-CB 4.25Å; E241-K245 PolarHBondContact O-N 2.98Å; E241-K245 WeakPolarHBondContact OE1-CE 3.21Å; E241-K245 IonicContact OE1-NZ 3.65Å; E241-K245 PolarHBondContact OE1-NZ 3.26Å; N242-K245 PolarHBondContact O-N 3.37Å; K245-K248 PolarHBondContact O-N 3.1Å; K245-A249 WeakPolarHBondContact O-CB 3.42Å; K245-A249 PolarHBondContact O-N 3.03Å
246A94.6Very high94.8Very high7 Ų773.9 Ų73.96%0.05837%0.367CS..Hα-helixtrans-63.4-40.117600000112.8N242 K243 R250N242-A246 WeakPolarHBondContact O-CB 3.49Å; N242-A246 PolarHBondContact O-N 3.03Å; K243-A246 PolarHBondContact O-N 3.29Å; A246-R250 VanDerWaalsContact O-CB 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.32Å; A246-R250 PolarHBondContact O-N 2.8Å
247I95.1Very high95Very high64 Ų6472.8 Ų72.833%0.32836%0.363SS..Hα-helixtrans-64.2-47.4175.3-71.9164.8000110.7K243 L244 R250 N251K243-I247 HydrophobicContact CG-CD1 3.96Å; K243-I247 WeakPolarHBondContact O-CB 3.39Å; K243-I247 VanDerWaalsContact O-CG1 3.25Å; K243-I247 WeakPolarHBondContact O-CG1 3.39Å; K243-I247 PolarHBondContact O-N 3.25Å; L244-I247 PolarHBondContact O-N 2.99Å; I247-R250 PolarHBondContact O-N 2.98Å; I247-N251 PolarHBondContact O-N 3.14Å; I247-N251 PolarHBondContact O-OD1 3.13Å
248K96.1Very high95.2Very high129 Ų12976 Ų7656%0.56137%0.368SS*.Hα-helixtrans-58.2-53.3177-73.7-177.2175.4-166.90111.2L244 K245 R250 N251 E252L244-K248 WeakPolarHBondContact O-CG 3.36Å; L244-K248 PolarHBondContact O-N 3.34Å; K245-K248 PolarHBondContact O-N 3.1Å; K248-R250 VanDerWaalsContact C-N 3.27Å; K248-R250 PolarHBondContact O-N 2.6Å; K248-N251 WeakPolarHBondContact O-CB 3.45Å; K248-N251 PolarHBondContact O-N 3.15Å; K248-E252 WeakPolarHBondContact O-CG 3.47Å; K248-E252 PolarHBondContact O-N 3.49Å
249A95.4Very high95.4Very high11 Ų1172.5 Ų72.59%0.09136%0.362CS..Hα-helixtrans-63.5-29.7179.700000113.7Y170 K245 Y253Y170-A249 HydrophobicContact CD2-CB 3.73Å; Y170-A249 HydrophobicContact CE2-CB 4.44Å; K245-A249 WeakPolarHBondContact O-CB 3.42Å; K245-A249 PolarHBondContact O-N 3.03Å; A249-Y253 WeakPolarHBondContact O-CB 3.3Å; A249-Y253 PolarHBondContact O-N 2.93Å
250R96.6Very high95.6Very high111 Ų11171.4 Ų71.442%0.41936%0.358SS..Hα-helixtrans-68.2-39.6171.2-169.9-173.263.7172.41.8112Y167 A246 I247 K248 Y253 L254Y167-R250 HydrophobicContact CD2-CB 3.65Å; Y167-R250 HydrophobicContact CD2-CG 4.2Å; Y167-R250 HydrophobicContact CE2-CB 3.57Å; Y167-R250 HydrophobicContact CE2-CG 3.78Å; A246-R250 VanDerWaalsContact O-CB 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.32Å; A246-R250 PolarHBondContact O-N 2.8Å; I247-R250 PolarHBondContact O-N 2.98Å; K248-R250 VanDerWaalsContact C-N 3.27Å; K248-R250 PolarHBondContact O-N 2.6Å; R250-Y253 PolarHBondContact O-N 2.86Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.86Å
251N96.6Very high95.7Very high74 Ų7470 Ų7040%0.39635%0.348SS..Hα-helixtrans-67.1-44.4177.2-68.510.1000110.6I247 K248 Y253 L254 L255I247-N251 PolarHBondContact O-N 3.14Å; I247-N251 PolarHBondContact O-OD1 3.13Å; K248-N251 WeakPolarHBondContact O-CB 3.45Å; K248-N251 PolarHBondContact O-N 3.15Å; N251-Y253 VanDerWaalsContact C-N 3.3Å; N251-Y253 PolarHBondContact O-N 3.07Å; N251-L254 PolarHBondContact O-N 3.47Å; N251-L255 WeakPolarHBondContact O-CG 3.49Å; N251-L255 PolarHBondContact O-N 3.06Å
252E96.7Very high95.8Very high114 Ų11468.1 Ų68.153%0.53335%0.349SS..Hα-helixtrans-57.2-42.4171.6-62.1-51.7131.700111.8V163 K248 L254 L255 A256V163-E252 HydrophobicContact CG1-CB 4.18Å; K248-E252 WeakPolarHBondContact O-CG 3.47Å; K248-E252 PolarHBondContact O-N 3.49Å; E252-L254 PolarHBondContact O-N 3.02Å; E252-L255 PolarHBondContact O-N 2.9Å; E252-A256 WeakPolarHBondContact O-CB 3.49Å; E252-A256 PolarHBondContact O-N 3.33Å
253Y96.9Very high95.9Very high50 Ų5069.1 Ų69.120%0.19636%0.358CS..Hα-helixtrans-60.9-43.7175171.8-131.7000112.6L160 V163 M164 Y167 A249 R250 N251 A256 L257L160-Y253 HydrophobicContact CD1-CD2 3.8Å; L160-Y253 HydrophobicContact CD1-CE2 3.76Å; L160-Y253 HydrophobicContact CG-CE2 4.39Å; V163-Y253 VanDerWaalsContact CG1-CA 3.48Å; M164-Y253 HydrophobicContact CB-CE2 4.49Å; M164-Y253 HydrophobicContact CG-CD2 3.52Å; M164-Y253 HydrophobicContact CG-CE2 3.14Å; M164-Y253 HydrophobicContact CG-CG 4.4Å; M164-Y253 HydrophobicContact SD-CE2 3.82Å; Y167-Y253 HydrophobicContact CD1-CD1 4.07Å; A249-Y253 WeakPolarHBondContact O-CB 3.3Å; A249-Y253 PolarHBondContact O-N 2.93Å; R250-Y253 PolarHBondContact O-N 2.86Å; N251-Y253 VanDerWaalsContact C-N 3.3Å; N251-Y253 PolarHBondContact O-N 3.07Å; Y253-A256 PolarHBondContact O-N 3.07Å; Y253-L257 HydrophobicContact CE2-CB 4.27Å; Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 PolarHBondContact O-N 3.01Å
254L96.4Very high96Very high93 Ų9365.8 Ų65.849%0.48735%0.345SS..Hα-helixtrans-65.6-39.1177.8-69.6169.7000112.2R250 N251 E252 L257 E258R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 2.86Å; N251-L254 PolarHBondContact O-N 3.47Å; E252-L254 PolarHBondContact O-N 3.02Å; L254-L257 PolarHBondContact O-N 3.3Å; L254-E258 PolarHBondContact O-N 3.19Å; L254-E258 VanDerWaalsContact O-N 3.09Å
255L96.3Very high96.1Very high114 Ų11465 Ų6560%0.59734%0.338SS*.Hα-helixtrans-65.7-46175.3-67.8172000111.8N251 E252 L257 E258 A259N251-L255 WeakPolarHBondContact O-CG 3.49Å; N251-L255 PolarHBondContact O-N 3.06Å; E252-L255 PolarHBondContact O-N 2.9Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.74Å; L255-E258 PolarHBondContact O-N 3.21Å; L255-A259 PolarHBondContact O-N 2.94Å
256A96.1Very high96.2Very high26 Ų2665.6 Ų65.622%0.21534%0.34CS..Hα-helixtrans-64.8-36.6177.100000112.2L160 V163 E252 Y253 T260L160-A256 HydrophobicContact CD1-CB 3.86Å; V163-A256 HydrophobicContact CB-CB 4.44Å; V163-A256 HydrophobicContact CG1-CB 4.31Å; V163-A256 HydrophobicContact CG2-CB 4.25Å; E252-A256 WeakPolarHBondContact O-CB 3.49Å; E252-A256 PolarHBondContact O-N 3.33Å; Y253-A256 PolarHBondContact O-N 3.07Å; A256-T260 WeakPolarHBondContact O-CB 3.5Å; A256-T260 PolarHBondContact O-N 3.39Å; A256-T260 PolarHBondContact O-OG1 2.87Å
257L95.7Very high96.3Very high47 Ų4765.6 Ų65.625%0.24634%0.339CS..Hα-helixtrans-63.7-45.5175.8-178.765.8000111.2L160 Y253 L254 L255 T260 N261L160-L257 HydrophobicContact CD1-CB 4.2Å; L160-L257 HydrophobicContact CD2-CD1 3.83Å; Y253-L257 HydrophobicContact CE2-CB 4.27Å; Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 PolarHBondContact O-N 3.01Å; L254-L257 PolarHBondContact O-N 3.3Å; L255-L257 VanDerWaalsContact C-N 3.33Å; L255-L257 PolarHBondContact O-N 2.74Å; L257-T260 PolarHBondContact O-N 3.13Å; L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 VanDerWaalsContact O-CG 3.24Å; L257-N261 PolarHBondContact O-N 3.16Å; L257-N261 PolarHBondContact O-ND2 3.29Å
258E95.8Very high96.3Very high132 Ų13264.9 Ų64.962%0.61733%0.332SS*.Hα-helixtrans-63.8-45.1177.9-157.662.9-144.300111.3L254 L255 T260 N261 A262L254-E258 PolarHBondContact O-N 3.19Å; L254-E258 VanDerWaalsContact O-N 3.09Å; L255-E258 PolarHBondContact O-N 3.21Å; E258-T260 VanDerWaalsContact C-N 3.31Å; E258-T260 PolarHBondContact O-N 2.87Å; E258-N261 PolarHBondContact O-N 3.09Å; E258-A262 WeakPolarHBondContact O-CB 3.43Å; E258-A262 PolarHBondContact O-N 2.97Å
259A95.2Very high96.2Very high52 Ų5262 Ų6243%0.4332%0.322SS..Hα-helixtrans-61.8-37.7174.600000112.6L255 S263L255-A259 PolarHBondContact O-N 2.94Å; A259-S263 WeakPolarHBondContact O-CB 3.44Å; A259-S263 PolarHBondContact O-N 3.2Å; A259-S263 PolarHBondContact O-OG 3.32Å
260T97.3Very high96.1Very high6 Ų666 Ų664%0.03734%0.339CS..Hα-helixtrans-65.8-47.8175.9-57.40000111.2V156 L157 L160 A256 L257 E258 A262 S263 V264V156-T260 HydrophobicContact CG1-CG2 4.16Å; L157-T260 HydrophobicContact CD2-CG2 3.74Å; L160-T260 HydrophobicContact CD2-CG2 3.92Å; A256-T260 WeakPolarHBondContact O-CB 3.5Å; A256-T260 PolarHBondContact O-N 3.39Å; A256-T260 PolarHBondContact O-OG1 2.87Å; L257-T260 PolarHBondContact O-N 3.13Å; E258-T260 VanDerWaalsContact C-N 3.31Å; E258-T260 PolarHBondContact O-N 2.87Å; T260-A262 PolarHBondContact O-N 2.9Å; T260-S263 PolarHBondContact O-N 2.81Å; T260-V264 HydrophobicContact CG2-CG2 4.46Å; T260-V264 WeakPolarHBondContact O-CG2 3.49Å; T260-V264 PolarHBondContact O-N 3.03Å
261N96.1Very high96.1Very high50 Ų5061.8 Ų61.827%0.26732%0.324SS..Hα-helixtrans-62.1-43.4178.4-69.6-21.8000111.4L257 E258 S263 V264 F265 Y830L257-N261 WeakPolarHBondContact O-CB 3.41Å; L257-N261 VanDerWaalsContact O-CG 3.24Å; L257-N261 PolarHBondContact O-N 3.16Å; L257-N261 PolarHBondContact O-ND2 3.29Å; E258-N261 PolarHBondContact O-N 3.09Å; N261-S263 VanDerWaalsContact C-N 3.34Å; N261-S263 PolarHBondContact O-N 2.92Å; N261-V264 PolarHBondContact O-N 2.76Å; N261-F265 VanDerWaalsContact O-CB 3.31Å; N261-F265 WeakPolarHBondContact O-CB 3.39Å; N261-F265 PolarHBondContact O-N 2.87Å; N261-Y830 WeakPolarHBondContact CB-OH 3.27Å; N261-Y830 PolarHBondContact OD1-OH 3.49Å
262A95.9Very high95.8Very high58 Ų5860.5 Ų60.548%0.47932%0.317SS..Hα-helixtrans-61.3-40.2174.100000112.4E258 T260 F265 K266E258-A262 WeakPolarHBondContact O-CB 3.43Å; E258-A262 PolarHBondContact O-N 2.97Å; T260-A262 PolarHBondContact O-N 2.9Å; A262-F265 PolarHBondContact O-N 2.88Å; A262-K266 WeakPolarHBondContact O-CB 3.2Å; A262-K266 PolarHBondContact O-N 3.15Å
263S96.7Very high95.5Very high39 Ų3957.8 Ų57.827%0.27331%0.311SS..Hα-helixtrans-67.3-44177.6-56.20000112.2A259 T260 N261 K266 Y267A259-S263 WeakPolarHBondContact O-CB 3.44Å; A259-S263 PolarHBondContact O-N 3.2Å; A259-S263 PolarHBondContact O-OG 3.32Å; T260-S263 PolarHBondContact O-N 2.81Å; N261-S263 VanDerWaalsContact C-N 3.34Å; N261-S263 PolarHBondContact O-N 2.92Å; S263-K266 PolarHBondContact O-N 3.18Å; S263-Y267 PolarHBondContact O-N 3.16Å
264V96.8Very high95.2Very high22 Ų2258.5 Ų58.513%0.13332%0.318CS..Hα-helixtrans-60-48.5173.7171.10000110.1L153 L157 T260 N261 K266 Y267 Y268L153-V264 HydrophobicContact CD1-CB 4.46Å; L153-V264 HydrophobicContact CD1-CG2 3.84Å; L157-V264 HydrophobicContact CD2-CG2 4.28Å; T260-V264 HydrophobicContact CG2-CG2 4.46Å; T260-V264 WeakPolarHBondContact O-CG2 3.49Å; T260-V264 PolarHBondContact O-N 3.03Å; N261-V264 PolarHBondContact O-N 2.76Å; V264-K266 PolarHBondContact O-N 3.08Å; V264-Y267 PolarHBondContact O-N 3.14Å; V264-Y268 HydrophobicContact CG1-CD2 3.91Å; V264-Y268 HydrophobicContact CG1-CE2 4.2Å; V264-Y268 WeakPolarHBondContact O-CD2 3.47Å; V264-Y268 PolarHBondContact O-N 2.97Å; V264-Y268 VanDerWaalsContact O-N 3.07Å
265F96.5Very high94.8Very high80 Ų8054.6 Ų54.635%0.35130%0.298SS..Hα-helixtrans-59.4-48.6178.9-175.1-84.4000111.6N261 A262 Y267 Y268 I269 H270 Y830N261-F265 VanDerWaalsContact O-CB 3.31Å; N261-F265 WeakPolarHBondContact O-CB 3.39Å; N261-F265 PolarHBondContact O-N 2.87Å; A262-F265 PolarHBondContact O-N 2.88Å; F265-Y267 PolarHBondContact O-N 2.98Å; F265-Y268 PolarHBondContact O-N 3.44Å; F265-I269 HydrophobicContact CD1-CB 4.37Å; F265-I269 HydrophobicContact CD1-CG1 4.25Å; F265-I269 HydrophobicContact CD2-CG1 3.98Å; F265-I269 HydrophobicContact CE1-CB 4.1Å; F265-I269 HydrophobicContact CE1-CG1 4.11Å; F265-I269 HydrophobicContact CE1-CG2 4.15Å; F265-I269 HydrophobicContact CE2-CG1 3.85Å; F265-I269 HydrophobicContact CG-CG1 4.18Å; F265-I269 HydrophobicContact CZ-CB 4.26Å; F265-I269 HydrophobicContact CZ-CG1 3.91Å; F265-I269 HydrophobicContact CZ-CG2 4.1Å; F265-I269 VanDerWaalsContact O-CB 3.28Å; F265-I269 WeakPolarHBondContact O-CB 3.49Å; F265-I269 VanDerWaalsContact O-CG1 3.31Å; F265-I269 WeakPolarHBondContact O-CG1 3.37Å; F265-I269 PolarHBondContact O-N 3.13Å; F265-H270 AromaticContact CE1-NE2 3.84Å; F265-Y830 HydrophobicContact CD2-CD1 4.28Å
266K96.5Very high94.3Very high99 Ų9951.8 Ų51.843%0.4328%0.283SS..Hα-helixtrans-57.8-46.3179-165.2-173.976760111.9A262 S263 V264 H270 D271A262-K266 WeakPolarHBondContact O-CB 3.2Å; A262-K266 PolarHBondContact O-N 3.15Å; S263-K266 PolarHBondContact O-N 3.18Å; V264-K266 PolarHBondContact O-N 3.08Å; K266-H270 WeakPolarHBondContact O-CB 3.21Å; K266-H270 PolarHBondContact O-N 3.4Å; K266-D271 WeakPolarHBondContact CE-OD2 3.18Å; K266-D271 IonicContact NZ-OD1 3.51Å; K266-D271 PolarHBondContact NZ-OD1 2.89Å; K266-D271 IonicContact NZ-OD2 3.86Å; K266-D271 PolarHBondContact NZ-OD2 3.42Å; K266-D271 PolarHBondContact O-N 2.7Å
267Y97.4Very high93.7Very high6 Ų655 Ų552%0.02430%0.296CS..Iπ-helixtrans-61.4-51.5179176.7-91.8000112.4L28 Q31 L149 Q150 L153 S263 V264 F265 D271 L272L28-Y267 HydrophobicContact CD2-CD1 4.29Å; L28-Y267 HydrophobicContact CD2-CE1 3.39Å; Q31-Y267 PolarHBondContact OE1-OH 3.29Å; L149-Y267 HydrophobicContact CB-CD2 4.26Å; L149-Y267 HydrophobicContact CB-CE2 4.17Å; Q150-Y267 HydrophobicContact CG-CE2 4.05Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.5Å; Q150-Y267 PolarHBondContact NE2-OH 2.92Å; L153-Y267 HydrophobicContact CD2-CD1 3.71Å; L153-Y267 HydrophobicContact CD2-CD2 4.34Å; L153-Y267 HydrophobicContact CD2-CE1 4.28Å; L153-Y267 HydrophobicContact CD2-CG 3.76Å; S263-Y267 PolarHBondContact O-N 3.16Å; V264-Y267 PolarHBondContact O-N 3.14Å; F265-Y267 PolarHBondContact O-N 2.98Å; Y267-D271 WeakPolarHBondContact CA-OD2 3.46Å; Y267-L272 HydrophobicContact CE1-CD1 4.13Å; Y267-L272 WeakPolarHBondContact O-CB 3.35Å; Y267-L272 PolarHBondContact O-N 2.91Å; Y267-L272 VanDerWaalsContact O-N 3.08Å
268Y95.3Very high92.7Very high49 Ų4958.2 Ų58.219%0.19231%0.31CS..Iπ-helixtrans-77.5-25.2-172.7-83.4-84.9000114.7Q27 L153 V264 F265Q27-Y268 VanDerWaalsContact OE1-CE1 3.23Å; Q27-Y268 PolarHBondContact OE1-OH 3.35Å; L153-Y268 HydrophobicContact CD2-CE2 4.37Å; V264-Y268 HydrophobicContact CG1-CD2 3.91Å; V264-Y268 HydrophobicContact CG1-CE2 4.2Å; V264-Y268 WeakPolarHBondContact O-CD2 3.47Å; V264-Y268 PolarHBondContact O-N 2.97Å; V264-Y268 VanDerWaalsContact O-N 3.07Å; F265-Y268 PolarHBondContact O-N 3.44Å
269I94.7Very high91.6Very high70 Ų7053.7 Ų53.736%0.35929%0.293SS..Iπ-helixtrans-103.2-29.3-174.6-55.2-59.9000112.6F265 A827F265-I269 HydrophobicContact CD1-CB 4.37Å; F265-I269 HydrophobicContact CD1-CG1 4.25Å; F265-I269 HydrophobicContact CD2-CG1 3.98Å; F265-I269 HydrophobicContact CE1-CB 4.1Å; F265-I269 HydrophobicContact CE1-CG1 4.11Å; F265-I269 HydrophobicContact CE1-CG2 4.15Å; F265-I269 HydrophobicContact CE2-CG1 3.85Å; F265-I269 HydrophobicContact CG-CG1 4.18Å; F265-I269 HydrophobicContact CZ-CB 4.26Å; F265-I269 HydrophobicContact CZ-CG1 3.91Å; F265-I269 HydrophobicContact CZ-CG2 4.1Å; F265-I269 VanDerWaalsContact O-CB 3.28Å; F265-I269 WeakPolarHBondContact O-CB 3.49Å; F265-I269 VanDerWaalsContact O-CG1 3.31Å; F265-I269 WeakPolarHBondContact O-CG1 3.37Å; F265-I269 PolarHBondContact O-N 3.13Å; I269-A827 HydrophobicContact CD1-CB 4.41Å
270H93.8Very high90.4Very high94 Ų9452.4 Ų52.444%0.43528%0.28SS..Iπ-helixtrans-120.1-64.3-175.7-58.1-56.9000111.9F265 K266 L272 S273 D274F265-H270 AromaticContact CE1-NE2 3.84Å; K266-H270 WeakPolarHBondContact O-CB 3.21Å; K266-H270 PolarHBondContact O-N 3.4Å; H270-L272 PolarHBondContact O-N 3.12Å; H270-L272 VanDerWaalsContact O-N 3.1Å; H270-S273 PolarHBondContact O-N 3.37Å; H270-D274 PolarHBondContact O-N 2.9Å
271D94.6Very high89.4Confident22 Ų2254 Ų5412%0.11829%0.289CS..Iπ-helixtrans-57.7-37.7-168.9-54.9-25.6000112.7L149 K266 Y267 D274 I275L149-D271 HydrophobicContact CD1-CB 4.32Å; K266-D271 WeakPolarHBondContact CE-OD2 3.18Å; K266-D271 IonicContact NZ-OD1 3.51Å; K266-D271 PolarHBondContact NZ-OD1 2.89Å; K266-D271 IonicContact NZ-OD2 3.86Å; K266-D271 PolarHBondContact NZ-OD2 3.42Å; K266-D271 PolarHBondContact O-N 2.7Å; Y267-D271 WeakPolarHBondContact CA-OD2 3.46Å; D271-D274 PolarHBondContact O-N 3.16Å; D271-I275 WeakPolarHBondContact O-CD1 3.45Å; D271-I275 VanDerWaalsContact O-CG1 3.23Å; D271-I275 WeakPolarHBondContact O-CG1 3.39Å; D271-I275 PolarHBondContact O-N 2.89Å
272L91.1Very high88.9Confident47 Ų4756.3 Ų56.325%0.24630%0.3CS..Hα-helixtrans-69.5-32179.6-169.4140.3000113.3Q31 Y267 H270 I276Q31-L272 HydrophobicContact CG-CD1 4.04Å; Y267-L272 HydrophobicContact CE1-CD1 4.13Å; Y267-L272 WeakPolarHBondContact O-CB 3.35Å; Y267-L272 PolarHBondContact O-N 2.91Å; Y267-L272 VanDerWaalsContact O-N 3.08Å; H270-L272 PolarHBondContact O-N 3.12Å; H270-L272 VanDerWaalsContact O-N 3.1Å; L272-I276 HydrophobicContact CD2-CD1 4.03Å; L272-I276 WeakPolarHBondContact O-CD1 3.45Å; L272-I276 WeakPolarHBondContact O-CG1 3.42Å
273S91.4Very high88.5Confident57 Ų5755.4 Ų55.440%0.39930%0.297SS..Hα-helixtrans-70.9-48170.5-157.80000109.9H270 I275 I276 D277H270-S273 PolarHBondContact O-N 3.37Å; S273-I275 VanDerWaalsContact C-N 3.28Å; S273-I275 PolarHBondContact O-N 2.92Å; S273-I276 WeakPolarHBondContact O-CA 3.41Å; S273-I276 WeakPolarHBondContact O-CB 3.39Å; S273-I276 PolarHBondContact O-N 3.33Å; S273-D277 PolarHBondContact O-N 3.32Å; S273-D277 VanDerWaalsContact O-OD2 3.11Å; S273-D277 PolarHBondContact OG-OD2 2.8Å
274D90.6Very high88.2Confident65 Ų6554.1 Ų54.135%0.34829%0.286SS..Hα-helixtrans-58.2-36.9-179-73.7-37.7000112.5H270 D271 Q278H270-D274 PolarHBondContact O-N 2.9Å; D271-D274 PolarHBondContact O-N 3.16Å; D274-Q278 HydrophobicContact CB-CG 4.49Å; D274-Q278 VanDerWaalsContact CG-NE2 3.27Å; D274-Q278 WeakPolarHBondContact O-CA 3.48Å; D274-Q278 WeakPolarHBondContact O-CB 3.41Å; D274-Q278 VanDerWaalsContact O-CG 3.22Å; D274-Q278 WeakPolarHBondContact O-CG 3.36Å; D274-Q278 PolarHBondContact O-N 3.41Å; D274-Q278 PolarHBondContact OD1-NE2 2.91Å
275I87.3Confident88.1Confident11 Ų1158 Ų586%0.05630%0.303CS..Hα-helixtrans-62.5-43.8172.5-67.6157000111.4L149 D271 S273 C279 C280L149-I275 HydrophobicContact CD1-CD1 3.68Å; L149-I275 HydrophobicContact CD1-CG1 4.08Å; D271-I275 WeakPolarHBondContact O-CD1 3.45Å; D271-I275 VanDerWaalsContact O-CG1 3.23Å; D271-I275 WeakPolarHBondContact O-CG1 3.39Å; D271-I275 PolarHBondContact O-N 2.89Å; S273-I275 VanDerWaalsContact C-N 3.28Å; S273-I275 PolarHBondContact O-N 2.92Å; I275-C279 WeakPolarHBondContact O-CA 3.15Å; I275-C279 VanDerWaalsContact O-CB 3.22Å; I275-C279 WeakPolarHBondContact O-CB 3.38Å; I275-C279 PolarHBondContact O-N 3.44Å; I275-C279 VanDerWaalsContact O-N 3.08Å; I275-C280 PolarHBondContact O-N 2.82Å
276I85.5Confident87.9Confident56 Ų5657.1 Ų57.129%0.28731%0.31SS..Iπ-helixtrans-67-54.6-178.3-65.7167000109.3L35 L272 S273 C280 D281L35-I276 HydrophobicContact CD2-CG1 4.08Å; L272-I276 HydrophobicContact CD2-CD1 4.03Å; L272-I276 WeakPolarHBondContact O-CD1 3.45Å; L272-I276 WeakPolarHBondContact O-CG1 3.42Å; S273-I276 WeakPolarHBondContact O-CA 3.41Å; S273-I276 WeakPolarHBondContact O-CB 3.39Å; S273-I276 PolarHBondContact O-N 3.33Å; I276-C280 WeakPolarHBondContact O-CB 3.45Å; I276-C280 PolarHBondContact O-N 2.92Å; I276-D281 PolarHBondContact O-N 3.06Å
277D83Confident87.9Confident93 Ų9354 Ų5450%0.49730%0.301SS..Iπ-helixtrans-67.7-44.9-174.1-61.4-43000112.3S273S273-D277 PolarHBondContact O-N 3.32Å; S273-D277 VanDerWaalsContact O-OD2 3.11Å; S273-D277 PolarHBondContact OG-OD2 2.8Å
278Q75.8Confident87.8Confident114 Ų11455 Ų5553%0.53331%0.306SS..Iπ-helixtrans-94.5-19.9-171-48.1-18022.100113.7D274D274-Q278 HydrophobicContact CB-CG 4.49Å; D274-Q278 VanDerWaalsContact CG-NE2 3.27Å; D274-Q278 WeakPolarHBondContact O-CA 3.48Å; D274-Q278 WeakPolarHBondContact O-CB 3.41Å; D274-Q278 VanDerWaalsContact O-CG 3.22Å; D274-Q278 WeakPolarHBondContact O-CG 3.36Å; D274-Q278 PolarHBondContact O-N 3.41Å; D274-Q278 PolarHBondContact OD1-NE2 2.91Å
279C71.5Confident87.8Confident37 Ų3756.5 Ų56.525%0.2532%0.318CS..Iπ-helixtrans-121.4-45.3-174.8-60.40000113.7S142 I275S142-C279 VanDerWaalsContact OG-CB 3.31Å; S142-C279 WeakPolarHBondContact OG-CB 3.35Å; S142-C279 PolarHBondContact OG-O 3.2Å; I275-C279 WeakPolarHBondContact O-CA 3.15Å; I275-C279 VanDerWaalsContact O-CB 3.22Å; I275-C279 WeakPolarHBondContact O-CB 3.38Å; I275-C279 PolarHBondContact O-N 3.44Å; I275-C279 VanDerWaalsContact O-N 3.08Å
280C71.1Confident88Confident25 Ų2560.1 Ų60.117%0.16933%0.327CS..Iπ-helixtrans-77.5-35.8-178.9-65.30000113.7R42 I275 I276R42-C280 PolarHBondContact NH1-O 3.35Å; I275-C280 PolarHBondContact O-N 2.82Å; I276-C280 WeakPolarHBondContact O-CB 3.45Å; I276-C280 PolarHBondContact O-N 2.92Å
281D77.2Confident88.2Confident40 Ų4055.7 Ų55.721%0.21431%0.306CS..SBendtrans-99.4-3.6-173.8-72.317.6000113.2R42 I276 G283 Y284 H285R42-D281 IonicContact CZ-OD1 2.68Å; R42-D281 IonicContact NH1-OD1 3.82Å; R42-D281 PolarHBondContact NH1-OD1 3.14Å; R42-D281 IonicContact NH2-OD1 2.67Å; R42-D281 PolarHBondContact NH2-OD1 3.33Å; R42-D281 IonicContact NH2-OD2 2.65Å; I276-D281 PolarHBondContact O-N 3.06Å; D281-G283 PolarHBondContact O-N 2.85Å; D281-Y284 PolarHBondContact O-N 3.26Å; D281-Y284 VanDerWaalsContact O-N 3.17Å; D281-H285 IonicContact OD2-NE2 2.69Å
282L85.1Confident88.3Confident98 Ų9857.7 Ų57.751%0.51332%0.317SS..THydrogen-bonded Turntrans-56.2105.1-172.2-172.566000112.6L138 Y284L138-L282 WeakPolarHBondContact CD1-O 3.43Å; L138-L282 HydrophobicContact CD2-CD2 4.16Å; L282-Y284 PolarHBondContact O-N 3.19Å
283G86.6Confident88.6Confident40 Ų4063 Ų6341%0.41233%0.333SS..THydrogen-bonded Turntrans76.1-6176.200000115.8D281 S287D281-G283 PolarHBondContact O-N 2.85Å; G283-S287 VanDerWaalsContact O-CB 3.27Å; G283-S287 WeakPolarHBondContact O-CB 3.48Å; G283-S287 PolarHBondContact O-N 3.39Å; G283-S287 PolarHBondContact O-OG 3.08Å
284Y91.6Very high89Confident11 Ų1161.6 Ų61.64%0.04332%0.323CS..Hα-helixtrans-62.3-59.3179.8173.5-107.3000111.2R42 L46 V131 D281 L282 A286 S287 L288R42-Y284 HydrophobicContact CB-CE2 4.3Å; R42-Y284 HydrophobicContact CG-CE1 4.25Å; L46-Y284 HydrophobicContact CD1-CE2 3.98Å; L46-Y284 HydrophobicContact CD2-CE2 4.18Å; L46-Y284 HydrophobicContact CG-CE2 4.13Å; V131-Y284 HydrophobicContact CG1-CD2 4.09Å; V131-Y284 HydrophobicContact CG1-CE2 4.49Å; D281-Y284 PolarHBondContact O-N 3.26Å; D281-Y284 VanDerWaalsContact O-N 3.17Å; L282-Y284 PolarHBondContact O-N 3.19Å; Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 3.1Å; Y284-S287 PolarHBondContact O-N 2.99Å; Y284-L288 HydrophobicContact CE1-CD2 4.28Å; Y284-L288 WeakPolarHBondContact O-CB 3.42Å; Y284-L288 PolarHBondContact O-N 3.44Å
285H93.1Very high89.3Confident104 Ų10460.9 Ų60.948%0.48132%0.317SS..Hα-helixtrans-61.5-39.6-179.1-67.3-77.5000112.8D281 N289D281-H285 IonicContact OD2-NE2 2.69Å; H285-N289 VanDerWaalsContact O-CB 3.24Å; H285-N289 WeakPolarHBondContact O-CB 3.2Å; H285-N289 PolarHBondContact O-N 2.94Å
286A94Very high89.8Confident61 Ų6165.4 Ų65.450%0.50434%0.34SS..Hα-helixtrans-65-39.8177.600000112.3Y284 R290Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 3.1Å; A286-R290 WeakPolarHBondContact O-CD 3.28Å; A286-R290 VanDerWaalsContact O-CG 3.28Å; A286-R290 WeakPolarHBondContact O-CG 3.39Å; A286-R290 PolarHBondContact O-N 2.92Å; A286-R290 VanDerWaalsContact O-N 3.12Å
287S94.7Very high90.5Very high33 Ų3365.8 Ų65.823%0.23135%0.348CS..Hα-helixtrans-74.6-40.8179.4-54.70000112.1G283 Y284 R290 A291G283-S287 VanDerWaalsContact O-CB 3.27Å; G283-S287 WeakPolarHBondContact O-CB 3.48Å; G283-S287 PolarHBondContact O-N 3.39Å; G283-S287 PolarHBondContact O-OG 3.08Å; Y284-S287 PolarHBondContact O-N 2.99Å; S287-R290 PolarHBondContact O-N 2.94Å; S287-A291 PolarHBondContact O-N 3.15Å
288L95.4Very high91.2Very high28 Ų2861.8 Ų61.815%0.14733%0.328CS..Hα-helixtrans-59.5-45.2171.7178.356.4000111.2L49 F128 Y284 R290 A291 L292L49-L288 HydrophobicContact CD1-CD1 3.94Å; F128-L288 HydrophobicContact CE1-CD1 3.7Å; F128-L288 HydrophobicContact CZ-CD1 4.42Å; Y284-L288 HydrophobicContact CE1-CD2 4.28Å; Y284-L288 WeakPolarHBondContact O-CB 3.42Å; Y284-L288 PolarHBondContact O-N 3.44Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 3.49Å; L288-A291 PolarHBondContact O-N 3.49Å; L288-L292 HydrophobicContact CD1-CD1 3.84Å; L288-L292 HydrophobicContact CD1-CG 4.06Å; L288-L292 HydrophobicContact CG-CD1 4.1Å; L288-L292 WeakPolarHBondContact O-CG 3.3Å; L288-L292 PolarHBondContact O-N 2.76Å
289N97Very high92.2Very high81 Ų8158.4 Ų58.443%0.43331%0.312SS..Hα-helixtrans-58.6-44.1176-171.8-93.6000111.8H285 L292 R293H285-N289 VanDerWaalsContact O-CB 3.24Å; H285-N289 WeakPolarHBondContact O-CB 3.2Å; H285-N289 PolarHBondContact O-N 2.94Å; N289-L292 PolarHBondContact O-N 3Å; N289-R293 VanDerWaalsContact O-CB 3.31Å; N289-R293 WeakPolarHBondContact O-CB 3.49Å; N289-R293 VanDerWaalsContact O-CG 3.3Å; N289-R293 WeakPolarHBondContact O-CG 3.5Å; N289-R293 PolarHBondContact O-N 3.48Å; N289-R293 VanDerWaalsContact OD1-CD 3.3Å; N289-R293 WeakPolarHBondContact OD1-CD 3.35Å; N289-R293 PolarHBondContact OD1-NE 3.15Å
290R97.6Very high93.5Very high146 Ų14662.2 Ų62.255%0.55133%0.329SS*.Hα-helixtrans-65.9-39.5177.7-71.9167.266-1483.8112.7A286 S287 L288 T294A286-R290 WeakPolarHBondContact O-CD 3.28Å; A286-R290 VanDerWaalsContact O-CG 3.28Å; A286-R290 WeakPolarHBondContact O-CG 3.39Å; A286-R290 PolarHBondContact O-N 2.92Å; A286-R290 VanDerWaalsContact O-N 3.12Å; S287-R290 PolarHBondContact O-N 2.94Å; L288-R290 VanDerWaalsContact C-N 3.34Å; L288-R290 PolarHBondContact O-N 3.49Å; R290-T294 PolarHBondContact O-N 2.89Å; R290-T294 PolarHBondContact O-OG1 3.38Å
291A97.4Very high94.8Very high0 Ų065.4 Ų65.40%035%0.345CS..Hα-helixtrans-64-47.4175.400000111.5R127 F128 S287 L288 T294 F295R127-A291 HydrophobicContact CB-CB 4.22Å; F128-A291 HydrophobicContact CD1-CB 4.21Å; F128-A291 HydrophobicContact CE1-CB 3.53Å; F128-A291 HydrophobicContact CE2-CB 4.38Å; F128-A291 HydrophobicContact CZ-CB 3.64Å; S287-A291 PolarHBondContact O-N 3.15Å; L288-A291 PolarHBondContact O-N 3.49Å; A291-T294 VanDerWaalsContact O-CB 3.29Å; A291-T294 WeakPolarHBondContact O-CB 3.4Å; A291-T294 PolarHBondContact O-N 2.84Å; A291-T294 VanDerWaalsContact O-N 3.13Å; A291-F295 PolarHBondContact O-N 2.92Å; A291-F295 VanDerWaalsContact O-N 3.16Å
292L97.9Very high95.7Very high65 Ų6564 Ų6434%0.3434%0.337SS..Hα-helixtrans-68.8-34.5177.8-64.9175.2000112.9F128 L288 N289 T294 F295 L296F128-L292 HydrophobicContact CZ-CD2 4.29Å; L288-L292 HydrophobicContact CD1-CD1 3.84Å; L288-L292 HydrophobicContact CD1-CG 4.06Å; L288-L292 HydrophobicContact CG-CD1 4.1Å; L288-L292 WeakPolarHBondContact O-CG 3.3Å; L288-L292 PolarHBondContact O-N 2.76Å; N289-L292 PolarHBondContact O-N 3Å; L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 3.22Å; L292-F295 WeakPolarHBondContact O-CB 3.44Å; L292-F295 PolarHBondContact O-N 3.44Å; L292-L296 WeakPolarHBondContact O-CG 3.32Å; L292-L296 PolarHBondContact O-N 2.99Å
293R97.7Very high96.3Very high157 Ų15763.9 Ų63.959%0.59233%0.334SS*.Hα-helixtrans-65.6-30.3169.8-77.2-175.9-178.9-80.62.8112.8N289 L296 S297N289-R293 VanDerWaalsContact O-CB 3.31Å; N289-R293 WeakPolarHBondContact O-CB 3.49Å; N289-R293 VanDerWaalsContact O-CG 3.3Å; N289-R293 WeakPolarHBondContact O-CG 3.5Å; N289-R293 PolarHBondContact O-N 3.48Å; N289-R293 VanDerWaalsContact OD1-CD 3.3Å; N289-R293 WeakPolarHBondContact OD1-CD 3.35Å; N289-R293 PolarHBondContact OD1-NE 3.15Å; R293-L296 PolarHBondContact O-N 2.82Å; R293-S297 VanDerWaalsContact O-CB 3.26Å; R293-S297 WeakPolarHBondContact O-CB 3.28Å; R293-S297 PolarHBondContact O-N 3.03Å
294T98.3Very high96.8Very high29 Ų2967 Ų6718%0.17834%0.338CS..Hα-helixtrans-66.2-40.4172.9-53.60000110.5I119 I124 R290 A291 L292 A298I119-T294 HydrophobicContact CG2-CG2 4.32Å; I124-T294 HydrophobicContact CD1-CG2 4.29Å; I124-T294 HydrophobicContact CG1-CG2 3.97Å; R290-T294 PolarHBondContact O-N 2.89Å; R290-T294 PolarHBondContact O-OG1 3.38Å; A291-T294 VanDerWaalsContact O-CB 3.29Å; A291-T294 WeakPolarHBondContact O-CB 3.4Å; A291-T294 PolarHBondContact O-N 2.84Å; A291-T294 VanDerWaalsContact O-N 3.13Å; L292-T294 VanDerWaalsContact C-N 3.28Å; L292-T294 PolarHBondContact O-N 3.22Å; T294-A298 WeakPolarHBondContact O-CB 3.28Å; T294-A298 PolarHBondContact O-N 3.01Å; T294-A298 VanDerWaalsContact O-N 3.1Å
295F98.2Very high97.1Very high50 Ų5067.4 Ų67.422%0.21934%0.342CS..Hα-helixtrans-59.8-54.6170.9161.7-106.9000111.9F53 Y120 I124 A291 L292 S297 A298 E299F53-F295 HydrophobicContact CE1-CB 4.23Å; F53-F295 AromaticContact CE1-CD2 3.52Å; F53-F295 HydrophobicContact CE1-CD2 3.52Å; F53-F295 HydrophobicContact CE1-CE2 4.09Å; F53-F295 HydrophobicContact CE1-CG 4.03Å; F53-F295 HydrophobicContact CZ-CB 4.02Å; F53-F295 AromaticContact CZ-CD2 3.85Å; F53-F295 HydrophobicContact CZ-CD2 3.85Å; F53-F295 HydrophobicContact CZ-CE2 4.45Å; F53-F295 AromaticContact CZ-CG 3.9Å; F53-F295 HydrophobicContact CZ-CG 3.9Å; Y120-F295 AromaticContact CE1-CD2 3.97Å; Y120-F295 HydrophobicContact CE1-CD2 3.97Å; I124-F295 HydrophobicContact CD1-CB 3.67Å; A291-F295 PolarHBondContact O-N 2.92Å; A291-F295 VanDerWaalsContact O-N 3.16Å; L292-F295 WeakPolarHBondContact O-CB 3.44Å; L292-F295 PolarHBondContact O-N 3.44Å; F295-S297 VanDerWaalsContact C-N 3.28Å; F295-S297 PolarHBondContact O-N 3.28Å; F295-A298 WeakPolarHBondContact O-CB 3.32Å; F295-A298 PolarHBondContact O-N 3.48Å; F295-E299 HydrophobicContact CD2-CG 4Å; F295-E299 HydrophobicContact CE2-CG 3.58Å; F295-E299 WeakPolarHBondContact CE2-OE1 3.47Å; F295-E299 HydrophobicContact CZ-CG 3.85Å; F295-E299 PolarHBondContact O-N 3.34Å
296L98.3Very high97.3Very high105 Ų10565.4 Ų65.455%0.5533%0.332SS..Hα-helixtrans-58.9-38.6-179.8-67.1170.9000112.4L292 R293 A298 L300L292-L296 WeakPolarHBondContact O-CG 3.32Å; L292-L296 PolarHBondContact O-N 2.99Å; R293-L296 PolarHBondContact O-N 2.82Å; L296-A298 VanDerWaalsContact C-N 3.34Å; L296-L300 VanDerWaalsContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CB 3.36Å; L296-L300 PolarHBondContact O-N 3.4Å
297S98.5Very high97.5Very high64 Ų6468.5 Ų68.545%0.44834%0.336SS..Hα-helixtrans-64.4-38175.2-172.50000112.2R293 F295 N301R293-S297 VanDerWaalsContact O-CB 3.26Å; R293-S297 WeakPolarHBondContact O-CB 3.28Å; R293-S297 PolarHBondContact O-N 3.03Å; F295-S297 VanDerWaalsContact C-N 3.28Å; F295-S297 PolarHBondContact O-N 3.28Å; S297-N301 PolarHBondContact O-N 3.4Å; S297-N301 VanDerWaalsContact O-N 3.16Å; S297-N301 PolarHBondContact O-ND2 3.49Å
298A98.2Very high97.6Very high10 Ų1071.1 Ų71.18%0.08334%0.344CS..Hα-helixtrans-70.2-44.9-179.600000111.6L116 I119 T294 F295 L296 N301 L302L116-A298 HydrophobicContact CD1-CB 3.53Å; I119-A298 HydrophobicContact CD1-CB 3.93Å; I119-A298 HydrophobicContact CG2-CB 4.05Å; T294-A298 WeakPolarHBondContact O-CB 3.28Å; T294-A298 PolarHBondContact O-N 3.01Å; T294-A298 VanDerWaalsContact O-N 3.1Å; F295-A298 WeakPolarHBondContact O-CB 3.32Å; F295-A298 PolarHBondContact O-N 3.48Å; L296-A298 VanDerWaalsContact C-N 3.34Å; A298-N301 PolarHBondContact O-N 2.86Å; A298-L302 PolarHBondContact O-N 3.12Å
299E97.6Very high97.7Very high42 Ų4270 Ų7020%0.19634%0.34CS..Hα-helixtrans-61.9-44175-61.2-70.3-173.300111.3K56 Y120 F295 N301 L302 E303K56-E299 IonicContact NZ-OE1 3.43Å; K56-E299 PolarHBondContact NZ-OE1 3.37Å; Y120-E299 PolarHBondContact OH-OE1 3.43Å; F295-E299 HydrophobicContact CD2-CG 4Å; F295-E299 HydrophobicContact CE2-CG 3.58Å; F295-E299 WeakPolarHBondContact CE2-OE1 3.47Å; F295-E299 HydrophobicContact CZ-CG 3.85Å; F295-E299 PolarHBondContact O-N 3.34Å; E299-N301 VanDerWaalsContact C-N 3.34Å; E299-N301 PolarHBondContact O-N 2.83Å; E299-L302 PolarHBondContact O-N 3.24Å; E299-E303 PolarHBondContact O-N 3.02Å
300L97.8Very high97.7Very high117 Ų11770.1 Ų70.161%0.61334%0.34SS*.Hα-helixtrans-60.4-40.117818063.6000112.8L296 Q304L296-L300 VanDerWaalsContact O-CB 3.31Å; L296-L300 WeakPolarHBondContact O-CB 3.36Å; L296-L300 PolarHBondContact O-N 3.4Å; L300-Q304 WeakPolarHBondContact O-CB 3.42Å; L300-Q304 PolarHBondContact O-N 3.18Å
301N97.8Very high97.7Very high92 Ų9266.6 Ų66.649%0.49233%0.332SS..Hα-helixtrans-72-32.7177.8-80.7-105.1000111.8S297 A298 E299 S305S297-N301 PolarHBondContact O-N 3.4Å; S297-N301 VanDerWaalsContact O-N 3.16Å; S297-N301 PolarHBondContact O-ND2 3.49Å; A298-N301 PolarHBondContact O-N 2.86Å; E299-N301 VanDerWaalsContact C-N 3.34Å; E299-N301 PolarHBondContact O-N 2.83Å; N301-S305 WeakPolarHBondContact O-CB 3.3Å; N301-S305 PolarHBondContact O-N 3.36Å
302L97.6Very high97.7Very high11 Ų1168.3 Ų68.36%0.05835%0.347CS..Hα-helixtrans-66.1-49173.6-174.3150.2000111D112 L116 A298 E299 Q304 S305 K306D112-L302 HydrophobicContact CB-CD1 4.1Å; D112-L302 HydrophobicContact CB-CG 4.08Å; L116-L302 HydrophobicContact CB-CD1 4.26Å; L116-L302 HydrophobicContact CD2-CD1 3.8Å; A298-L302 PolarHBondContact O-N 3.12Å; E299-L302 PolarHBondContact O-N 3.24Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 2.99Å; L302-S305 PolarHBondContact O-N 2.84Å; L302-K306 VanDerWaalsContact O-CB 3.31Å; L302-K306 WeakPolarHBondContact O-CB 3.47Å; L302-K306 PolarHBondContact O-N 3.01Å
303E96.8Very high97.7Very high96 Ų9666.6 Ų66.645%0.44934%0.337SS..Hα-helixtrans-64.4-34.8177.9-68.5-61.515900112.1E299 K306 H307E299-E303 PolarHBondContact O-N 3.02Å; E303-K306 PolarHBondContact O-N 2.85Å; E303-K306 IonicContact OE2-NZ 3.14Å; E303-H307 WeakPolarHBondContact O-CB 3.37Å; E303-H307 PolarHBondContact O-N 3.42Å
304Q97.6Very high97.7Very high106 Ų10664.7 Ų64.750%0.49534%0.335SS..Hα-helixtrans-64-49.6172.3-177.4175.3-5.100112L300 L302 K306 H307 E308L300-Q304 WeakPolarHBondContact O-CB 3.42Å; L300-Q304 PolarHBondContact O-N 3.18Å; L302-Q304 VanDerWaalsContact C-N 3.31Å; L302-Q304 PolarHBondContact O-N 2.99Å; Q304-K306 VanDerWaalsContact C-N 3.27Å; Q304-K306 PolarHBondContact O-N 2.7Å; Q304-H307 PolarHBondContact O-N 3.39Å; Q304-E308 WeakPolarHBondContact O-CG 3.36Å; Q304-E308 PolarHBondContact O-N 3.14Å
305S98.1Very high97.6Very high18 Ų1866.6 Ų66.613%0.12634%0.344CS..Hα-helixtrans-59.6-40.2177.1-178.70000111.5R108 D112 N301 L302 G309R108-S305 WeakPolarHBondContact CD-O 3.2Å; R108-S305 WeakPolarHBondContact CD-OG 3.21Å; R108-S305 PolarHBondContact NH1-O 3.14Å; R108-S305 PolarHBondContact NH1-OG 2.87Å; D112-S305 WeakPolarHBondContact OD2-CB 3.41Å; D112-S305 PolarHBondContact OD2-OG 3.18Å; N301-S305 WeakPolarHBondContact O-CB 3.3Å; N301-S305 PolarHBondContact O-N 3.36Å; L302-S305 PolarHBondContact O-N 2.84Å; S305-G309 PolarHBondContact O-N 2.75Å
306K97.6Very high97.4Very high62 Ų6264.5 Ų64.527%0.2734%0.336SS..Hα-helixtrans-62.5-47.6174.5-177.6178.3173.5-165.40111.6Q105 E109 L302 E303 Q304 G309 L310Q105-K306 PolarHBondContact NE2-O 2.81Å; E109-K306 WeakPolarHBondContact OE1-CE 3.45Å; L302-K306 VanDerWaalsContact O-CB 3.31Å; L302-K306 WeakPolarHBondContact O-CB 3.47Å; L302-K306 PolarHBondContact O-N 3.01Å; E303-K306 PolarHBondContact O-N 2.85Å; E303-K306 IonicContact OE2-NZ 3.14Å; Q304-K306 VanDerWaalsContact C-N 3.27Å; Q304-K306 PolarHBondContact O-N 2.7Å; K306-G309 PolarHBondContact O-N 2.69Å; K306-G309 VanDerWaalsContact O-N 3.16Å; K306-L310 HydrophobicContact CG-CD1 4.16Å; K306-L310 WeakPolarHBondContact O-CG 3.39Å; K306-L310 PolarHBondContact O-N 3.11Å
307H97.9Very high97.3Very high126 Ų12663.2 Ų63.258%0.58333%0.332SS*.Hα-helixtrans-58.8-47.1177.8179.351.8000112.2E303 Q304 G309 L310 D311E303-H307 WeakPolarHBondContact O-CB 3.37Å; E303-H307 PolarHBondContact O-N 3.42Å; Q304-H307 PolarHBondContact O-N 3.39Å; H307-G309 PolarHBondContact O-N 2.68Å; H307-L310 PolarHBondContact O-N 3.02Å; H307-L310 VanDerWaalsContact O-N 3.09Å; H307-D311 WeakPolarHBondContact O-CB 3.34Å; H307-D311 PolarHBondContact O-N 3.38Å
308E97.4Very high97.2Very high88 Ų8867 Ų6741%0.41134%0.343SS..Hα-helixtrans-53.5-38.1174.4-71.1174.6-169.100113.2R108 Q304 A312R108-E308 IonicContact CZ-OE2 3.35Å; R108-E308 IonicContact NH1-OE2 2.79Å; R108-E308 PolarHBondContact NH1-OE2 3.13Å; R108-E308 IonicContact NH2-OE2 2.64Å; R108-E308 PolarHBondContact NH2-OE2 3.31Å; Q304-E308 WeakPolarHBondContact O-CG 3.36Å; Q304-E308 PolarHBondContact O-N 3.14Å; E308-A312 WeakPolarHBondContact O-CB 3.34Å; E308-A312 PolarHBondContact O-N 3.26Å; E308-A312 VanDerWaalsContact O-N 3.13Å
309G96.3Very high97Very high5 Ų571.8 Ų71.85%0.05237%0.367CS..Hα-helixtrans-84.5-20.6-179.200000114.5Q105 S305 K306 H307 I313Q105-G309 VanDerWaalsContact OE1-CA 3.27Å; S305-G309 PolarHBondContact O-N 2.75Å; K306-G309 PolarHBondContact O-N 2.69Å; K306-G309 VanDerWaalsContact O-N 3.16Å; H307-G309 PolarHBondContact O-N 2.68Å; G309-I313 WeakPolarHBondContact O-CD1 3.33Å; G309-I313 WeakPolarHBondContact O-CG1 3.41Å; G309-I313 PolarHBondContact O-N 3.39Å
310L97.9Very high96.9Very high83 Ų8374 Ų7444%0.43538%0.38SS..Hα-helixtrans-75.6-45.1167.9-68.6174.5000110.6K306 H307 A312 I313 E314K306-L310 HydrophobicContact CG-CD1 4.16Å; K306-L310 WeakPolarHBondContact O-CG 3.39Å; K306-L310 PolarHBondContact O-N 3.11Å; H307-L310 PolarHBondContact O-N 3.02Å; H307-L310 VanDerWaalsContact O-N 3.09Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.38Å; L310-I313 CarbonylContact O-C 3.49Å; L310-I313 WeakPolarHBondContact O-CA 3.41Å; L310-I313 WeakPolarHBondContact O-CB 3.38Å; L310-I313 PolarHBondContact O-N 2.91Å; L310-E314 PolarHBondContact O-N 3.43Å
311D97.8Very high96.8Very high72 Ų7271.4 Ų71.439%0.38537%0.367SS..Hα-helixtrans-54.9-44.7172169.987.5000111.2H307 I313 E314 N315H307-D311 WeakPolarHBondContact O-CB 3.34Å; H307-D311 PolarHBondContact O-N 3.38Å; D311-I313 PolarHBondContact O-N 3.25Å; D311-E314 PolarHBondContact O-N 3.41Å; D311-E314 VanDerWaalsContact O-N 3.15Å; D311-N315 WeakPolarHBondContact O-CB 3.43Å; D311-N315 PolarHBondContact O-N 2.98Å; D311-N315 PolarHBondContact O-ND2 3.48Å; D311-N315 PolarHBondContact OD1-ND2 3.01Å; D311-N315 PolarHBondContact OD2-ND2 3.14Å
312A96.2Very high96.6Very high37 Ų3770.9 Ų70.931%0.30638%0.375SS..Hα-helixtrans-62.3-25.3174.700000114.1E308 L310E308-A312 WeakPolarHBondContact O-CB 3.34Å; E308-A312 PolarHBondContact O-N 3.26Å; E308-A312 VanDerWaalsContact O-N 3.13Å; L310-A312 VanDerWaalsContact C-N 3.31Å; L310-A312 PolarHBondContact O-N 3.38Å
313I97.6Very high96.4Very high28 Ų2874.4 Ų74.414%0.14440%0.397CS..Hα-helixtrans-81.6-42173.1-67.1163.5000110.3L101 L102 Q105 G309 L310 D311 A316 V317L101-I313 HydrophobicContact CB-CG1 4.13Å; L102-I313 HydrophobicContact CD1-CD1 4.06Å; Q105-I313 HydrophobicContact CB-CD1 3.69Å; Q105-I313 HydrophobicContact CG-CD1 4Å; G309-I313 WeakPolarHBondContact O-CD1 3.33Å; G309-I313 WeakPolarHBondContact O-CG1 3.41Å; G309-I313 PolarHBondContact O-N 3.39Å; L310-I313 CarbonylContact O-C 3.49Å; L310-I313 WeakPolarHBondContact O-CA 3.41Å; L310-I313 WeakPolarHBondContact O-CB 3.38Å; L310-I313 PolarHBondContact O-N 2.91Å; D311-I313 PolarHBondContact O-N 3.25Å; I313-A316 CarbonylContact O-C 3.47Å; I313-A316 WeakPolarHBondContact O-CA 3.39Å; I313-A316 WeakPolarHBondContact O-CB 3.4Å; I313-A316 PolarHBondContact O-N 2.95Å; I313-V317 HydrophobicContact CG2-CG2 4.36Å; I313-V317 WeakPolarHBondContact O-CG2 3.34Å; I313-V317 PolarHBondContact O-N 3.36Å
314E97.6Very high96.2Very high118 Ų11872 Ų7255%0.55139%0.391SS*.Hα-helixtrans-57.6-52.8176.9-173.1162.2-149.300110.9L310 D311 A316 V317 E318L310-E314 PolarHBondContact O-N 3.43Å; D311-E314 PolarHBondContact O-N 3.41Å; D311-E314 VanDerWaalsContact O-N 3.15Å; E314-A316 PolarHBondContact O-N 2.97Å; E314-A316 VanDerWaalsContact O-N 3.13Å; E314-V317 WeakPolarHBondContact O-CA 3.44Å; E314-V317 WeakPolarHBondContact O-CB 3.5Å; E314-V317 PolarHBondContact O-N 2.91Å; E314-E318 PolarHBondContact O-N 2.96Å
315N96.3Very high96Very high69 Ų6968 Ų6837%0.36937%0.373SS..Hα-helixtrans-52.7-36.4170.9-78.9-88.9000112.4D311 N319D311-N315 WeakPolarHBondContact O-CB 3.43Å; D311-N315 PolarHBondContact O-N 2.98Å; D311-N315 PolarHBondContact O-ND2 3.48Å; D311-N315 PolarHBondContact OD1-ND2 3.01Å; D311-N315 PolarHBondContact OD2-ND2 3.14Å; N315-N319 WeakPolarHBondContact O-CB 3.25Å; N315-N319 PolarHBondContact O-N 3.45Å; N315-N319 PolarHBondContact O-ND2 2.87Å
316A94.9Very high95.8Very high5 Ų572.9 Ų72.94%0.04139%0.392CS..Hα-helixtrans-75-31.4178.300000113.3C98 L101 I313 E314 N319C98-A316 VanDerWaalsContact SG-C 3.54Å; C98-A316 PolarHBondContact SG-O 3.23Å; L101-A316 HydrophobicContact CD1-CB 3.49Å; L101-A316 VanDerWaalsContact CD1-CB 3.49Å; I313-A316 CarbonylContact O-C 3.47Å; I313-A316 WeakPolarHBondContact O-CA 3.39Å; I313-A316 WeakPolarHBondContact O-CB 3.4Å; I313-A316 PolarHBondContact O-N 2.95Å; E314-A316 PolarHBondContact O-N 2.97Å; E314-A316 VanDerWaalsContact O-N 3.13Å; A316-N319 PolarHBondContact O-N 3.26Å
317V96.8Very high95.5Very high78 Ų7875.4 Ų75.447%0.47341%0.405SS..Hα-helixtrans-70.5-41.5174.1169.90000110.8I313 E314 N319 L320I313-V317 HydrophobicContact CG2-CG2 4.36Å; I313-V317 WeakPolarHBondContact O-CG2 3.34Å; I313-V317 PolarHBondContact O-N 3.36Å; E314-V317 WeakPolarHBondContact O-CA 3.44Å; E314-V317 WeakPolarHBondContact O-CB 3.5Å; E314-V317 PolarHBondContact O-N 2.91Å; V317-N319 PolarHBondContact O-N 3.29Å; V317-L320 HydrophobicContact CG1-CD1 4.21Å; V317-L320 VanDerWaalsContact O-CB 3.28Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 WeakPolarHBondContact O-CD1 3.44Å; V317-L320 VanDerWaalsContact O-CG 3.24Å; V317-L320 WeakPolarHBondContact O-CG 3.37Å; V317-L320 PolarHBondContact O-N 3.42Å; V317-L320 VanDerWaalsContact O-N 3.16Å
318E96.1Very high95.1Very high144 Ų14472.3 Ų72.367%0.67339%0.388SS*.Hα-helixtrans-60.4-33.5172.3-67.7-176.8161.500112.3E314 L320E314-E318 PolarHBondContact O-N 2.96Å; E318-L320 PolarHBondContact O-N 3.15Å
319N94.4Very high94.7Very high111 Ų11171.5 Ų71.559%0.59439%0.386SS*.THydrogen-bonded Turntrans-82.217176.9-80-71.7000114.5S94 N315 A316 V317 D321S94-N319 WeakPolarHBondContact CB-O 3.34Å; N315-N319 WeakPolarHBondContact O-CB 3.25Å; N315-N319 PolarHBondContact O-N 3.45Å; N315-N319 PolarHBondContact O-ND2 2.87Å; A316-N319 PolarHBondContact O-N 3.26Å; V317-N319 PolarHBondContact O-N 3.29Å; N319-D321 PolarHBondContact O-N 3.06Å
320L95.6Very high94.5Very high87 Ų8775.3 Ų75.346%0.45540%0.403SS..  trans-74.897.2172.8-74.8172.1000111.6P95 V317 E318P95-L320 HydrophobicContact CB-CD2 4.28Å; P95-L320 HydrophobicContact CG-CD2 4.07Å; V317-L320 HydrophobicContact CG1-CD1 4.21Å; V317-L320 VanDerWaalsContact O-CB 3.28Å; V317-L320 WeakPolarHBondContact O-CB 3.42Å; V317-L320 WeakPolarHBondContact O-CD1 3.44Å; V317-L320 VanDerWaalsContact O-CG 3.24Å; V317-L320 WeakPolarHBondContact O-CG 3.37Å; V317-L320 PolarHBondContact O-N 3.42Å; V317-L320 VanDerWaalsContact O-N 3.16Å; E318-L320 PolarHBondContact O-N 3.15Å
321D93.9Very high94.1Very high63 Ų6376.7 Ų76.734%0.33741%0.408SS..  trans-123.5106.7-178.817811.9000113.1S94 N319 T323 S324 D325S94-D321 PolarHBondContact OG-N 3.49Å; N319-D321 PolarHBondContact O-N 3.06Å; D321-T323 PolarHBondContact O-N 2.88Å; D321-T323 WeakPolarHBondContact OD1-CA 3.5Å; D321-T323 WeakPolarHBondContact OD1-CB 3.38Å; D321-T323 PolarHBondContact OD1-N 3.36Å; D321-T323 PolarHBondContact OD1-OG1 3.48Å; D321-T323 PolarHBondContact OD2-OG1 3.5Å; D321-S324 PolarHBondContact OD1-N 2.9Å; D321-S324 WeakPolarHBondContact OD2-CB 3.42Å; D321-S324 PolarHBondContact OD2-N 3.16Å; D321-S324 VanDerWaalsContact OD2-N 3.09Å; D321-D325 WeakPolarHBondContact O-CB 3.27Å; D321-D325 PolarHBondContact O-N 3.22Å
322A93.5Very high93.6Very high81 Ų8176 Ų7667%0.66940%0.403SS*.Hα-helixtrans-63.9-23.2175.800000114K326A322-K326 WeakPolarHBondContact O-CB 3.35Å; A322-K326 PolarHBondContact O-N 2.94Å; A322-K326 VanDerWaalsContact O-N 3.11Å
323T93.7Very high93.2Very high85 Ų8579.6 Ų79.652%0.52141%0.409SS..Hα-helixtrans-81.4-45.2179.171.90000112D321 K326 Q327D321-T323 PolarHBondContact O-N 2.88Å; D321-T323 WeakPolarHBondContact OD1-CA 3.5Å; D321-T323 WeakPolarHBondContact OD1-CB 3.38Å; D321-T323 PolarHBondContact OD1-N 3.36Å; D321-T323 PolarHBondContact OD1-OG1 3.48Å; D321-T323 PolarHBondContact OD2-OG1 3.5Å; T323-K326 PolarHBondContact O-N 2.78Å; T323-Q327 PolarHBondContact O-N 2.98Å
324S92.9Very high92.9Very high46 Ų4682.6 Ų82.632%0.32243%0.426SS..Hα-helixtrans-60.1-45.4168.9176.60000111.7D321 K326 Q327 R328D321-S324 PolarHBondContact OD1-N 2.9Å; D321-S324 WeakPolarHBondContact OD2-CB 3.42Å; D321-S324 PolarHBondContact OD2-N 3.16Å; D321-S324 VanDerWaalsContact OD2-N 3.09Å; S324-K326 VanDerWaalsContact C-N 3.35Å; S324-K326 PolarHBondContact O-N 3.29Å; S324-Q327 WeakPolarHBondContact O-CB 3.26Å; S324-Q327 PolarHBondContact O-N 3.16Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; S324-R328 WeakPolarHBondContact O-CB 3.44Å; S324-R328 PolarHBondContact O-N 3.41Å
325D93.9Very high92.6Very high22 Ų2283.9 Ų83.912%0.11844%0.436CS..Hα-helixtrans-63-39176.4-82.7-25.1000112.8L93 S94 P95 D321 R328 L329L93-D325 WeakPolarHBondContact CA-OD1 3.44Å; L93-D325 HydrophobicContact CD2-CB 3.9Å; L93-D325 WeakPolarHBondContact CD2-OD1 3.39Å; S94-D325 WeakPolarHBondContact CB-OD2 3.47Å; S94-D325 PolarHBondContact N-OD1 2.81Å; S94-D325 PolarHBondContact N-OD2 3.25Å; S94-D325 VanDerWaalsContact N-OD2 3.1Å; S94-D325 PolarHBondContact OG-OD2 2.82Å; P95-D325 WeakPolarHBondContact CD-OD2 3.38Å; D321-D325 WeakPolarHBondContact O-CB 3.27Å; D321-D325 PolarHBondContact O-N 3.22Å; D325-R328 PolarHBondContact O-N 2.87Å; D325-L329 VanDerWaalsContact O-CB 3.29Å; D325-L329 WeakPolarHBondContact O-CB 3.42Å; D325-L329 PolarHBondContact O-N 2.99Å
326K93.3Very high92.5Very high121 Ų12185.7 Ų85.753%0.52645%0.449SS..Hα-helixtrans-63.4-43.4172.5176-158.873-1640111.5A322 T323 S324 L329 M330A322-K326 WeakPolarHBondContact O-CB 3.35Å; A322-K326 PolarHBondContact O-N 2.94Å; A322-K326 VanDerWaalsContact O-N 3.11Å; T323-K326 PolarHBondContact O-N 2.78Å; S324-K326 VanDerWaalsContact C-N 3.35Å; S324-K326 PolarHBondContact O-N 3.29Å; K326-L329 PolarHBondContact O-N 3.18Å; K326-M330 HydrophobicContact CG-SD 4.35Å; K326-M330 WeakPolarHBondContact O-CG 3.44Å; K326-M330 PolarHBondContact O-N 3.37Å
327Q91.8Very high92.4Very high115 Ų11590.2 Ų90.254%0.53747%0.468SS..Hα-helixtrans-60.7-50.8175.9174.5172.8-13.400110.5T323 S324 L329 M330 E331T323-Q327 PolarHBondContact O-N 2.98Å; S324-Q327 WeakPolarHBondContact O-CB 3.26Å; S324-Q327 PolarHBondContact O-N 3.16Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; Q327-L329 VanDerWaalsContact C-N 3.29Å; Q327-L329 PolarHBondContact O-N 2.87Å; Q327-M330 PolarHBondContact O-N 3.48Å; Q327-E331 HydrophobicContact CG-CG 4.37Å; Q327-E331 VanDerWaalsContact CG-OE1 3.24Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.3Å; Q327-E331 PolarHBondContact NE2-OE1 3.3Å; Q327-E331 WeakPolarHBondContact O-CG 3.19Å; Q327-E331 PolarHBondContact O-N 3.22Å
328R89.1Confident92.2Very high61 Ų6189.4 Ų89.423%0.2347%0.466CS..Hα-helixtrans-56.7-40.6176.9-169.4-175.7-58-75.26.7112.4Q90 N91 S324 D325 M332Q90-R328 PolarHBondContact O-NH1 3.33Å; N91-R328 VanDerWaalsContact OD1-CG 3.32Å; N91-R328 WeakPolarHBondContact OD1-CG 3.47Å; N91-R328 PolarHBondContact OD1-NH1 2.88Å; S324-R328 WeakPolarHBondContact O-CB 3.44Å; S324-R328 PolarHBondContact O-N 3.41Å; D325-R328 PolarHBondContact O-N 2.87Å; R328-M332 WeakPolarHBondContact O-CB 3.42Å; R328-M332 PolarHBondContact O-N 2.87Å
329L89.7Confident92.1Very high70 Ų7088.1 Ų88.137%0.36647%0.47SS..Hα-helixtrans-63.6-44.7174.7-177.171.9000111.9D325 K326 Q327 M332 Y333D325-L329 VanDerWaalsContact O-CB 3.29Å; D325-L329 WeakPolarHBondContact O-CB 3.42Å; D325-L329 PolarHBondContact O-N 2.99Å; K326-L329 PolarHBondContact O-N 3.18Å; Q327-L329 VanDerWaalsContact C-N 3.29Å; Q327-L329 PolarHBondContact O-N 2.87Å; L329-M332 HydrophobicContact CD1-CE 4.29Å; L329-Y333 HydrophobicContact CD1-CD2 3.68Å; L329-Y333 HydrophobicContact CD1-CE2 3.69Å; L329-Y333 HydrophobicContact CG-CD2 4.33Å; L329-Y333 WeakPolarHBondContact O-CD2 3.31Å; L329-Y333 PolarHBondContact O-N 2.97Å
330M92.5Very high92Very high85 Ų8588.3 Ų88.342%0.41948%0.477SS..Hα-helixtrans-66.9-37.4178.4-72.1-178.86900112.3K326 Q327 Y333 N334 F337K326-M330 HydrophobicContact CG-SD 4.35Å; K326-M330 WeakPolarHBondContact O-CG 3.44Å; K326-M330 PolarHBondContact O-N 3.37Å; Q327-M330 PolarHBondContact O-N 3.48Å; M330-Y333 CarbonylContact O-C 3.47Å; M330-Y333 VanDerWaalsContact O-C 3.27Å; M330-N334 WeakPolarHBondContact O-CA 3.41Å; M330-N334 PolarHBondContact O-N 3.04Å; M330-F337 HydrophobicContact CB-CD2 4.26Å; M330-F337 HydrophobicContact CE-CB 4.16Å; M330-F337 HydrophobicContact CG-CD2 4.07Å; M330-F337 HydrophobicContact CG-CE2 4.39Å; M330-F337 HydrophobicContact CG-CG 4.19Å
331E89.1Confident91.9Very high112 Ų11292.7 Ų92.752%0.52350%0.498SS..Hα-helixtrans-68.2-47.7174.5-71.3172.7-175.600111.9Q327 Y333 N334Q327-E331 HydrophobicContact CG-CG 4.37Å; Q327-E331 VanDerWaalsContact CG-OE1 3.24Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.3Å; Q327-E331 PolarHBondContact NE2-OE1 3.3Å; Q327-E331 WeakPolarHBondContact O-CG 3.19Å; Q327-E331 PolarHBondContact O-N 3.22Å; E331-Y333 PolarHBondContact O-N 3.14Å; E331-N334 WeakPolarHBondContact O-CB 3.41Å; E331-N334 PolarHBondContact O-N 3.19Å; E331-N334 VanDerWaalsContact O-N 3.15Å
332M87.2Confident91.9Very high57 Ų5797.2 Ų97.228%0.28151%0.514SS..Hα-helixtrans-59.5-35.1177.6178.716357.100112.3F86 R328 L329F86-M332 HydrophobicContact CD1-SD 4.33Å; F86-M332 HydrophobicContact CE1-CG 4.04Å; F86-M332 HydrophobicContact CE1-SD 3.82Å; F86-M332 HydrophobicContact CZ-CG 4.3Å; F86-M332 HydrophobicContact CZ-SD 4.12Å; R328-M332 WeakPolarHBondContact O-CB 3.42Å; R328-M332 PolarHBondContact O-N 2.87Å; L329-M332 HydrophobicContact CD1-CE 4.29Å
333Y88.1Confident91.9Very high113 Ų113102.5 Ų102.544%0.44352%0.522SS..THydrogen-bonded Turntrans-110.738.2175.3-63-70.9000112.6L329 M330 E331 N335 V336 F337L329-Y333 HydrophobicContact CD1-CD2 3.68Å; L329-Y333 HydrophobicContact CD1-CE2 3.69Å; L329-Y333 HydrophobicContact CG-CD2 4.33Å; L329-Y333 WeakPolarHBondContact O-CD2 3.31Å; L329-Y333 PolarHBondContact O-N 2.97Å; M330-Y333 CarbonylContact O-C 3.47Å; M330-Y333 VanDerWaalsContact O-C 3.27Å; E331-Y333 PolarHBondContact O-N 3.14Å; Y333-N335 PolarHBondContact O-N 2.8Å; Y333-V336 WeakPolarHBondContact O-CA 3.34Å; Y333-V336 WeakPolarHBondContact O-CB 3.5Å; Y333-V336 PolarHBondContact O-N 3.36Å; Y333-F337 WeakPolarHBondContact O-CD2 3.44Å; Y333-F337 PolarHBondContact O-N 3.47Å
334N90.3Very high92Very high92 Ų92103.8 Ų103.849%0.49252%0.523SS..Hα-helixtrans-49.7-40.1-176.6174.966.5000113.5M330 E331 V336 F337 C338M330-N334 WeakPolarHBondContact O-CA 3.41Å; M330-N334 PolarHBondContact O-N 3.04Å; E331-N334 WeakPolarHBondContact O-CB 3.41Å; E331-N334 PolarHBondContact O-N 3.19Å; E331-N334 VanDerWaalsContact O-N 3.15Å; N334-V336 PolarHBondContact O-N 3.29Å; N334-F337 PolarHBondContact O-N 3.37Å; N334-C338 VanDerWaalsContact O-CB 3.26Å; N334-C338 WeakPolarHBondContact O-CB 2.92Å; N334-C338 PolarHBondContact O-N 2.93Å
335N91.7Very high92Very high145 Ų145107.3 Ų107.378%0.77553%0.532SS*.Hα-helixtrans-66.1-15.7178.8-60.8-10.9000114.4Y333Y333-N335 PolarHBondContact O-N 2.8Å
336V94.4Very high92Very high106 Ų106113.2 Ų113.264%0.64256%0.559SS**Hα-helixtrans-90.6-35176.6-176.70000110.8Y333 N334Y333-V336 WeakPolarHBondContact O-CA 3.34Å; Y333-V336 WeakPolarHBondContact O-CB 3.5Å; Y333-V336 PolarHBondContact O-N 3.36Å; N334-V336 PolarHBondContact O-N 3.29Å
337F93.3Very high92Very high100 Ų100111 Ų11144%0.43956%0.557SS.*Hα-helixtrans-103.3-7.8-173.6-62.5-69.6000114.5M330 Y333 N334M330-F337 HydrophobicContact CB-CD2 4.26Å; M330-F337 HydrophobicContact CE-CB 4.16Å; M330-F337 HydrophobicContact CG-CD2 4.07Å; M330-F337 HydrophobicContact CG-CE2 4.39Å; M330-F337 HydrophobicContact CG-CG 4.19Å; Y333-F337 WeakPolarHBondContact O-CD2 3.44Å; Y333-F337 PolarHBondContact O-N 3.47Å; N334-F337 PolarHBondContact O-N 3.37Å
338C92.6Very high92Very high61 Ų61112.6 Ų112.641%0.41256%0.564SS.*SBendtrans-62.5133179.161.40000111.5N334N334-C338 VanDerWaalsContact O-CB 3.26Å; N334-C338 WeakPolarHBondContact O-CB 2.92Å; N334-C338 PolarHBondContact O-N 2.93Å
339P92.9Very high92Very high118 Ų118118 Ų11877%0.76659%0.594SS**PPolyproline II helixtrans-66.8140-18027.1-34.2000111.1
340P92.9Very high92.1Very high115 Ų115117.4 Ų117.475%0.74761%0.605SS**PPolyproline II helixtrans-68.1161.417530.3-35.7000111.4
341M92.3Very high92.1Very high179 Ų179117.3 Ų117.388%0.88261%0.606SS**PPolyproline II helixtrans-58.5141.3172.7-72.1-173.2171.200111.4
342K94.4Very high92.1Very high157 Ų157120.7 Ų120.768%0.68362%0.624SS**PPolyproline II helixtrans-61.6136.5176.7178.5175165.4-100.20110.5E344K342-E344 WeakPolarHBondContact CD-OE1 3.48Å; K342-E344 VanDerWaalsContact NZ-CD 3.27Å; K342-E344 IonicContact NZ-OE1 2.64Å; K342-E344 PolarHBondContact NZ-OE1 3.43Å; K342-E344 IonicContact NZ-OE2 3.26Å; K342-E344 PolarHBondContact NZ-OE2 3.06Å; K342-E344 VanDerWaalsContact NZ-OE2 3.08Å; K342-E344 PolarHBondContact O-N 3.48Å
343F94.4Very high92.2Very high192 Ų192120.5 Ų120.584%0.84263%0.632SS**PPolyproline II helixtrans-70.4126.6171.1-60.2-71.8000110.5
344E94.5Very high92.1Very high113 Ų113119.4 Ų119.453%0.52864%0.64SS.*  trans-107.1149.6175.4-63-55.4152.300111.4K342 Q346K342-E344 WeakPolarHBondContact CD-OE1 3.48Å; K342-E344 VanDerWaalsContact NZ-CD 3.27Å; K342-E344 IonicContact NZ-OE1 2.64Å; K342-E344 PolarHBondContact NZ-OE1 3.43Å; K342-E344 IonicContact NZ-OE2 3.26Å; K342-E344 PolarHBondContact NZ-OE2 3.06Å; K342-E344 VanDerWaalsContact NZ-OE2 3.08Å; K342-E344 PolarHBondContact O-N 3.48Å; E344-Q346 PolarHBondContact O-N 3.19Å; E344-Q346 PolarHBondContact O-NE2 2.91Å
345F93.4Very high92.1Very high119 Ų119123 Ų12352%0.52265%0.654SS.*  trans-58.2130.6174.6173.7-101.6000110.5P347 A353F345-P347 HydrophobicContact CD1-CG 4.21Å; F345-P347 HydrophobicContact CE1-CB 4.32Å; F345-P347 HydrophobicContact CE1-CG 4.05Å; F345-P347 WeakPolarHBondContact O-CD 3.2Å; F345-A353 VanDerWaalsContact CE1-O 3.25Å; F345-A353 WeakPolarHBondContact CE1-O 3.46Å
346Q94.2Very high92.1Very high147 Ų147119.3 Ų119.369%0.68763%0.634SS**  trans-105.3108.4-179.9-60.3-55.5-56.400109.3E344 H348E344-Q346 PolarHBondContact O-N 3.19Å; E344-Q346 PolarHBondContact O-NE2 2.91Å; Q346-H348 PolarHBondContact O-N 3.3Å
347P93.3Very high91.9Very high73 Ų73118 Ų11847%0.47463%0.629SS.*  trans-62.2119.3179.2-23.634.6000111.7F345 D351F345-P347 HydrophobicContact CD1-CG 4.21Å; F345-P347 HydrophobicContact CE1-CB 4.32Å; F345-P347 HydrophobicContact CE1-CG 4.05Å; F345-P347 WeakPolarHBondContact O-CD 3.2Å; P347-D351 HydrophobicContact CB-CB 4.44Å
348H92.9Very high91.7Very high150 Ų150113.8 Ų113.869%0.69461%0.612SS**G310 helixtrans-81.9128.1178.1178.3-100.8000110.2Q346 G350 D351Q346-H348 PolarHBondContact O-N 3.3Å; H348-G350 PolarHBondContact O-N 3.27Å; H348-G350 VanDerWaalsContact O-N 3.12Å; H348-D351 WeakPolarHBondContact O-CB 3.49Å; H348-D351 PolarHBondContact O-N 3.32Å; H348-D351 VanDerWaalsContact O-N 3.08Å
349M89.1Confident91.4Very high175 Ų175117.7 Ų117.786%0.86263%0.625SS**G310 helixtrans54.430.8175.7-62.7-70.9-77.700114.9
350G89.9Confident91.2Very high57 Ų57118.2 Ų118.259%0.58862%0.617SS**G310 helixtrans78.126-179.400000114.4H348 M352H348-G350 PolarHBondContact O-N 3.27Å; H348-G350 VanDerWaalsContact O-N 3.12Å; G350-M352 PolarHBondContact O-N 3.15Å
351D94.3Very high90.9Very high83 Ų83117.3 Ų117.344%0.44461%0.611SS.*  trans-51.4126.2171.3-168.3-5.1000111.3P347 H348 A353P347-D351 HydrophobicContact CB-CB 4.44Å; H348-D351 WeakPolarHBondContact O-CB 3.49Å; H348-D351 PolarHBondContact O-N 3.32Å; H348-D351 VanDerWaalsContact O-N 3.08Å; D351-A353 WeakPolarHBondContact OD1-CB 3.12Å; D351-A353 PolarHBondContact OD1-N 2.72Å
352M88.1Confident90.8Very high183 Ų183111.7 Ų111.790%0.90159%0.586SS**  trans-87.8-9.9-178.8-58-68.6-88.900111.7G350G350-M352 PolarHBondContact O-N 3.15Å
353A88.4Confident90.7Very high53 Ų53106.7 Ų106.744%0.43857%0.566SS.*  trans-85.8124.3175.500000111.2F345 D351F345-A353 VanDerWaalsContact CE1-O 3.25Å; F345-A353 WeakPolarHBondContact CE1-O 3.46Å; D351-A353 WeakPolarHBondContact OD1-CB 3.12Å; D351-A353 PolarHBondContact OD1-N 2.72Å
354S87.3Confident90.4Very high89 Ų89100.8 Ų100.862%0.62255%0.548SS*.  trans-124.49.9177.161.30000113.3
355Q90Very high90.4Very high169 Ų169101.7 Ų101.779%0.7955%0.552SS**SBendtrans-141.8163.6-174-62.4-175.6-6.300110.3C357Q355-C357 PolarHBondContact O-N 2.79Å
356L91.1Very high90.3Very high67 Ų6797.8 Ų97.835%0.35154%0.536SS..  trans-65.3129.2176.7-69.3-178.7000111.3L473 L474 T477L356-L473 HydrophobicContact CD1-CD2 4.03Å; L356-L473 HydrophobicContact CD1-CG 3.76Å; L356-L473 HydrophobicContact CG-CD2 4.23Å; L356-L473 HydrophobicContact CG-CG 4.28Å; L356-L474 HydrophobicContact CD1-CD2 3.89Å; L356-L474 HydrophobicContact CD1-CG 4.39Å; L356-T477 HydrophobicContact CB-CG2 4.03Å
357C90.1Very high90.3Very high78 Ų7893.4 Ų93.453%0.52752%0.52SS..  trans-85.2115.3169.5-175.20000110.1Q355 L366Q355-C357 PolarHBondContact O-N 2.79Å; C357-L366 WeakPolarHBondContact O-CD1 3.26Å
358A88.9Confident90.3Very high12 Ų1296.4 Ų96.410%0.09953%0.527CS..  trans-112.637.717800000112.8Q363 L366 T477 L478A358-Q363 WeakPolarHBondContact O-CB 3.45Å; A358-Q363 VanDerWaalsContact O-CG 3.25Å; A358-Q363 WeakPolarHBondContact O-CG 3.49Å; A358-Q363 PolarHBondContact O-NE2 3.18Å; A358-L366 HydrophobicContact CB-CD1 4.24Å; A358-T477 HydrophobicContact CB-CG2 3.64Å; A358-L478 HydrophobicContact CB-CD2 4.06Å
359Q87Confident90.4Very high143 Ų14396.6 Ų96.667%0.66852%0.522SS*.  trans-86.4164.5173.7-63.4-177.9-0.700111.2V362 Q363Q359-V362 WeakPolarHBondContact O-CG2 3.35Å; Q359-V362 PolarHBondContact O-N 2.71Å; Q359-V362 VanDerWaalsContact O-N 3.16Å; Q359-Q363 PolarHBondContact O-N 3.49Å
360Q88.4Confident90.7Very high129 Ų12988.6 Ų88.660%0.60348%0.483SS*.THydrogen-bonded Turntrans-68.7141.2173.7-69.4-67.9-2300110.5
361P86.4Confident90.8Very high95 Ų9592.1 Ų92.162%0.61748%0.484SS*.THydrogen-bonded Turncis-85.9-18.87.233.4-35.7000115.2Q363 S364P361-Q363 PolarHBondContact O-N 2.98Å; P361-Q363 VanDerWaalsContact O-N 3.14Å; P361-S364 PolarHBondContact O-N 3.37Å; P361-S364 PolarHBondContact O-OG 3.15Å
362V91.3Very high90.9Very high62 Ų6294.4 Ų94.438%0.37649%0.492SS..Hα-helixtrans-64.2-23.1-168.9-62.10000114.1Q359 S364 E365 L366Q359-V362 WeakPolarHBondContact O-CG2 3.35Å; Q359-V362 PolarHBondContact O-N 2.71Å; Q359-V362 VanDerWaalsContact O-N 3.16Å; V362-S364 PolarHBondContact O-N 3.1Å; V362-E365 PolarHBondContact O-N 3.27Å; V362-L366 HydrophobicContact CG2-CD1 4.45Å; V362-L366 WeakPolarHBondContact O-CG 3.46Å; V362-L366 PolarHBondContact O-N 3.44Å
363Q90.8Very high91.3Very high52 Ų5286.6 Ų86.624%0.24345%0.454CS..Hα-helixtrans-51-41176.2-167.2-178.735.300113A358 Q359 P361 L366 V367 L478A358-Q363 WeakPolarHBondContact O-CB 3.45Å; A358-Q363 VanDerWaalsContact O-CG 3.25Å; A358-Q363 WeakPolarHBondContact O-CG 3.49Å; A358-Q363 PolarHBondContact O-NE2 3.18Å; Q359-Q363 PolarHBondContact O-N 3.49Å; P361-Q363 PolarHBondContact O-N 2.98Å; P361-Q363 VanDerWaalsContact O-N 3.14Å; Q363-L366 PolarHBondContact O-N 3.09Å; Q363-V367 WeakPolarHBondContact O-CG2 3.29Å; Q363-V367 PolarHBondContact O-N 2.82Å; Q363-L478 HydrophobicContact CG-CD2 4.32Å
364S89Confident91.6Very high67 Ų6788.1 Ų88.147%0.46945%0.452SS..Hα-helixtrans-64.4-46.4-178.160.30000112.6P361 V362 L366 V367 Q368P361-S364 PolarHBondContact O-N 3.37Å; P361-S364 PolarHBondContact O-OG 3.15Å; V362-S364 PolarHBondContact O-N 3.1Å; S364-L366 VanDerWaalsContact C-N 3.35Å; S364-L366 PolarHBondContact O-N 3.05Å; S364-V367 PolarHBondContact O-N 3.41Å; S364-Q368 PolarHBondContact O-N 3.15Å
365E93.6Very high92Very high132 Ų13287.4 Ų87.462%0.61745%0.447SS*.Hα-helixtrans-63.2-39.9174.9-64.4-180-149.300111.9V362 Q368 R369V362-E365 PolarHBondContact O-N 3.27Å; E365-Q368 PolarHBondContact O-N 3.27Å; E365-R369 VanDerWaalsContact O-CB 3.23Å; E365-R369 WeakPolarHBondContact O-CB 3.47Å; E365-R369 PolarHBondContact O-N 2.87Å
366L92.9Very high92.4Very high37 Ų3785.9 Ų85.919%0.19443%0.434CS..Hα-helixtrans-65.5-40177.7-65.6173.9000111.8C357 A358 V362 Q363 S364 R369 C370 L474 L478C357-L366 WeakPolarHBondContact O-CD1 3.26Å; A358-L366 HydrophobicContact CB-CD1 4.24Å; V362-L366 HydrophobicContact CG2-CD1 4.45Å; V362-L366 WeakPolarHBondContact O-CG 3.46Å; V362-L366 PolarHBondContact O-N 3.44Å; Q363-L366 PolarHBondContact O-N 3.09Å; S364-L366 VanDerWaalsContact C-N 3.35Å; S364-L366 PolarHBondContact O-N 3.05Å; L366-R369 PolarHBondContact O-N 3.39Å; L366-C370 WeakPolarHBondContact O-CB 3.43Å; L366-C370 PolarHBondContact O-N 3.42Å; L366-L474 HydrophobicContact CB-CD2 4.28Å; L366-L474 HydrophobicContact CD2-CD2 3.68Å; L366-L474 HydrophobicContact CG-CD2 4.46Å; L366-L478 HydrophobicContact CB-CD1 4.36Å; L366-L478 HydrophobicContact CB-CD2 4.27Å
367V92.8Very high92.7Very high56 Ų5682.7 Ų82.734%0.33942%0.417SS..Hα-helixtrans-62.9-49.7173.9170.30000111.1Q363 S364 R369 C370 Q371 L478Q363-V367 WeakPolarHBondContact O-CG2 3.29Å; Q363-V367 PolarHBondContact O-N 2.82Å; S364-V367 PolarHBondContact O-N 3.41Å; V367-R369 VanDerWaalsContact C-N 3.27Å; V367-R369 PolarHBondContact O-N 3.28Å; V367-C370 WeakPolarHBondContact O-CB 3.29Å; V367-C370 PolarHBondContact O-N 3.46Å; V367-Q371 WeakPolarHBondContact O-CG 3.45Å; V367-Q371 PolarHBondContact O-N 3.29Å; V367-L478 HydrophobicContact CG2-CD1 4.03Å; V367-L478 HydrophobicContact CG2-CD2 3.82Å; V367-L478 HydrophobicContact CG2-CG 4.45Å
368Q93.7Very high93Very high136 Ų13681.5 Ų81.564%0.63641%0.41SS*.Hα-helixtrans-59.2-41177.6-171.6-178.811.900111.3S364 E365 Q371 Q372S364-Q368 PolarHBondContact O-N 3.15Å; E365-Q368 PolarHBondContact O-N 3.27Å; Q368-Q371 PolarHBondContact O-N 3.1Å; Q368-Q372 WeakPolarHBondContact O-CB 3.44Å; Q368-Q372 PolarHBondContact O-N 3.21Å
369R95.6Very high93.4Very high154 Ų15485.3 Ų85.358%0.58143%0.432SS*.Hα-helixtrans-69.2-34.8177.8-168.1165.2-168.7142.45.3113E365 L366 V367 Q372 L373E365-R369 VanDerWaalsContact O-CB 3.23Å; E365-R369 WeakPolarHBondContact O-CB 3.47Å; E365-R369 PolarHBondContact O-N 2.87Å; L366-R369 PolarHBondContact O-N 3.39Å; V367-R369 VanDerWaalsContact C-N 3.27Å; V367-R369 PolarHBondContact O-N 3.28Å; R369-Q372 PolarHBondContact O-N 3.3Å; R369-L373 HydrophobicContact CG-CD1 4.41Å; R369-L373 WeakPolarHBondContact O-CB 3.37Å; R369-L373 VanDerWaalsContact O-CG 3.28Å; R369-L373 WeakPolarHBondContact O-CG 3.49Å; R369-L373 PolarHBondContact O-N 3.32Å
370C94.2Very high93.9Very high6 Ų679.8 Ų79.84%0.04141%0.407CS..Hα-helixtrans-63.8-46.8174-156.30000110.7L366 V367 Q372 L373 Q374 L474 L478L366-C370 WeakPolarHBondContact O-CB 3.43Å; L366-C370 PolarHBondContact O-N 3.42Å; V367-C370 WeakPolarHBondContact O-CB 3.29Å; V367-C370 PolarHBondContact O-N 3.46Å; C370-Q372 PolarHBondContact O-N 3.5Å; C370-L373 PolarHBondContact O-N 3Å; C370-Q374 WeakPolarHBondContact O-CB 3.44Å; C370-Q374 PolarHBondContact O-N 3.45Å; C370-L474 HydrophobicContact CB-CB 4.26Å; C370-L478 HydrophobicContact CB-CD1 3.81Å
371Q93.3Very high94.3Very high132 Ų13277.9 Ų77.962%0.61740%0.397SS*.Hα-helixtrans-61.7-42.2175.5-67.8173.1-4.700112.4V367 Q368 Q374 S375V367-Q371 WeakPolarHBondContact O-CG 3.45Å; V367-Q371 PolarHBondContact O-N 3.29Å; Q368-Q371 PolarHBondContact O-N 3.1Å; Q371-Q374 PolarHBondContact O-N 3.26Å; Q371-S375 PolarHBondContact O-N 3.22Å; Q371-S375 PolarHBondContact O-OG 2.74Å
372Q95.8Very high94.9Very high131 Ų13178.4 Ų78.461%0.61239%0.393SS*.Hα-helixtrans-66.2-35.7176.7-169.7-176.238.100112.9Q368 R369 C370 S375 R376Q368-Q372 WeakPolarHBondContact O-CB 3.44Å; Q368-Q372 PolarHBondContact O-N 3.21Å; R369-Q372 PolarHBondContact O-N 3.3Å; C370-Q372 PolarHBondContact O-N 3.5Å; Q372-S375 PolarHBondContact O-OG 2.7Å; Q372-R376 WeakPolarHBondContact O-CB 3.5Å; Q372-R376 PolarHBondContact O-N 3.03Å
373L96.4Very high95.2Very high18 Ų1880.9 Ų80.99%0.09440%0.401CS..Hα-helixtrans-68.2-43.1173.2-75.4169.4000111.1R369 C370 R376 L377 L467 K470 H471 L474R369-L373 HydrophobicContact CG-CD1 4.41Å; R369-L373 WeakPolarHBondContact O-CB 3.37Å; R369-L373 VanDerWaalsContact O-CG 3.28Å; R369-L373 WeakPolarHBondContact O-CG 3.49Å; R369-L373 PolarHBondContact O-N 3.32Å; C370-L373 PolarHBondContact O-N 3Å; L373-R376 PolarHBondContact O-N 3.32Å; L373-L377 VanDerWaalsContact O-CB 3.25Å; L373-L377 WeakPolarHBondContact O-CB 3.35Å; L373-L377 WeakPolarHBondContact O-CD1 3.39Å; L373-L377 VanDerWaalsContact O-CG 3.27Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 3.26Å; L373-L467 HydrophobicContact CD2-CB 4.34Å; L373-L467 HydrophobicContact CD2-CD2 3.75Å; L373-K470 HydrophobicContact CD1-CB 4.2Å; L373-H471 HydrophobicContact CB-CB 4.2Å; L373-H471 HydrophobicContact CD1-CB 4.48Å; L373-L474 HydrophobicContact CD1-CD1 3.64Å
374Q95.5Very high95.5Very high86 Ų8679 Ų7940%0.40239%0.392SS..Hα-helixtrans-62-48.6179.8179.460.44.900112C370 Q371 R376 L377 S378 H471C370-Q374 WeakPolarHBondContact O-CB 3.44Å; C370-Q374 PolarHBondContact O-N 3.45Å; Q371-Q374 PolarHBondContact O-N 3.26Å; Q374-R376 PolarHBondContact O-N 3.32Å; Q374-L377 PolarHBondContact O-N 3.46Å; Q374-S378 PolarHBondContact O-N 2.89Å; Q374-S378 PolarHBondContact O-OG 3.18Å; Q374-H471 PolarHBondContact OE1-NE2 3.17Å
375S95.9Very high95.9Very high73 Ų7379.6 Ų79.651%0.5139%0.388SS..Hα-helixtrans-62.7-43.8178.960.40000112.1Q371 Q372 L377 S378 T379Q371-S375 PolarHBondContact O-N 3.22Å; Q371-S375 PolarHBondContact O-OG 2.74Å; Q372-S375 PolarHBondContact O-OG 2.7Å; S375-L377 PolarHBondContact O-N 2.96Å; S375-S378 PolarHBondContact O-N 3.04Å; S375-T379 PolarHBondContact O-N 3.36Å; S375-T379 PolarHBondContact O-OG1 2.93Å
376R97.4Very high96.1Very high137 Ų13779.1 Ų79.152%0.51739%0.385SS..Hα-helixtrans-64.8-37.7176.1-174.6175.5-179.4172.62.4112.8Q372 L373 Q374 L380 L467Q372-R376 WeakPolarHBondContact O-CB 3.5Å; Q372-R376 PolarHBondContact O-N 3.03Å; L373-R376 PolarHBondContact O-N 3.32Å; Q374-R376 PolarHBondContact O-N 3.32Å; R376-L380 HydrophobicContact CG-CD1 3.98Å; R376-L380 HydrophobicContact CG-CG 4.46Å; R376-L380 WeakPolarHBondContact O-CG 3.48Å; R376-L380 PolarHBondContact O-N 3.44Å; R376-L380 VanDerWaalsContact O-N 3.08Å; R376-L467 HydrophobicContact CG-CD1 4.35Å
377L97.6Very high96.4Very high0 Ų078 Ų780%038%0.38CS..Hα-helixtrans-64.8-40.5175.9-84.8164.5000111.7L373 Q374 S375 L380 K381 I464 L467 Q468 H471L373-L377 VanDerWaalsContact O-CB 3.25Å; L373-L377 WeakPolarHBondContact O-CB 3.35Å; L373-L377 WeakPolarHBondContact O-CD1 3.39Å; L373-L377 VanDerWaalsContact O-CG 3.27Å; L373-L377 WeakPolarHBondContact O-CG 3.24Å; L373-L377 PolarHBondContact O-N 3.26Å; Q374-L377 PolarHBondContact O-N 3.46Å; S375-L377 PolarHBondContact O-N 2.96Å; L377-L380 PolarHBondContact O-N 3.46Å; L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 VanDerWaalsContact O-CG 3.24Å; L377-K381 WeakPolarHBondContact O-CG 3.43Å; L377-K381 PolarHBondContact O-N 3.19Å; L377-I464 HydrophobicContact CD2-CG2 4.07Å; L377-L467 HydrophobicContact CD1-CB 4.42Å; L377-L467 HydrophobicContact CD2-CB 3.79Å; L377-L467 HydrophobicContact CG-CB 4.06Å; L377-Q468 HydrophobicContact CD1-CB 4.45Å; L377-Q468 HydrophobicContact CD2-CB 4.12Å; L377-H471 HydrophobicContact CD1-CB 3.66Å
378S96.7Very high96.6Very high53 Ų5377.6 Ų77.637%0.37137%0.374SS..Hα-helixtrans-58.8-48.6175.8-630000111.8Q374 S375 K381 I382Q374-S378 PolarHBondContact O-N 2.89Å; Q374-S378 PolarHBondContact O-OG 3.18Å; S375-S378 PolarHBondContact O-N 3.04Å; S378-K381 PolarHBondContact O-N 3.47Å; S378-I382 WeakPolarHBondContact O-CG1 3.31Å; S378-I382 PolarHBondContact O-N 3.28Å
379T97.4Very high96.8Very high93 Ų9377.8 Ų77.857%0.57137%0.372SS*.Hα-helixtrans-61.2-51.4177.7-51.20000111.9S375 K381 I382 E383S375-T379 PolarHBondContact O-N 3.36Å; S375-T379 PolarHBondContact O-OG1 2.93Å; T379-K381 VanDerWaalsContact C-N 3.28Å; T379-K381 PolarHBondContact O-N 3.01Å; T379-I382 PolarHBondContact O-N 2.88Å; T379-E383 PolarHBondContact O-N 2.96Å; T379-E383 VanDerWaalsContact O-N 3.12Å
380L97.4Very high96.9Very high26 Ų2673 Ų7314%0.13636%0.361CS..Hα-helixtrans-62.6-34-178.3-71.9171.7000112.7R376 L377 N384 L463 I464 L467R376-L380 HydrophobicContact CG-CD1 3.98Å; R376-L380 HydrophobicContact CG-CG 4.46Å; R376-L380 WeakPolarHBondContact O-CG 3.48Å; R376-L380 PolarHBondContact O-N 3.44Å; R376-L380 VanDerWaalsContact O-N 3.08Å; L377-L380 PolarHBondContact O-N 3.46Å; L380-N384 WeakPolarHBondContact O-CB 3.38Å; L380-N384 PolarHBondContact O-N 2.73Å; L380-L463 HydrophobicContact CD1-CD2 3.72Å; L380-L463 HydrophobicContact CD1-CG 3.99Å; L380-L463 HydrophobicContact CD2-CD2 4.17Å; L380-I464 HydrophobicContact CB-CD1 4.33Å; L380-I464 HydrophobicContact CB-CG1 3.9Å; L380-L467 HydrophobicContact CD1-CD1 3.7Å
381K97.4Very high97.1Very high90 Ų9073.4 Ų73.439%0.39136%0.362SS..Hα-helixtrans-66.2-40.6176.5-78.8175.1-178.5179.30112.4L377 S378 T379 E385 I464L377-K381 WeakPolarHBondContact O-CB 3.41Å; L377-K381 VanDerWaalsContact O-CG 3.24Å; L377-K381 WeakPolarHBondContact O-CG 3.43Å; L377-K381 PolarHBondContact O-N 3.19Å; S378-K381 PolarHBondContact O-N 3.47Å; T379-K381 VanDerWaalsContact C-N 3.28Å; T379-K381 PolarHBondContact O-N 3.01Å; K381-E385 WeakPolarHBondContact O-CB 3.46Å; K381-E385 WeakPolarHBondContact O-CG 3.5Å; K381-E385 PolarHBondContact O-N 3.44Å; K381-I464 HydrophobicContact CG-CD1 4.28Å; K381-I464 HydrophobicContact CG-CG2 4.22Å
382I97.3Very high97.3Very high106 Ų10671.5 Ų71.554%0.54435%0.353SS..Hα-helixtrans-64.2-54.3177.5-65.3164000109.4S378 T379 N384 E385 E386S378-I382 WeakPolarHBondContact O-CG1 3.31Å; S378-I382 PolarHBondContact O-N 3.28Å; T379-I382 PolarHBondContact O-N 2.88Å; I382-N384 VanDerWaalsContact C-N 3.32Å; I382-N384 PolarHBondContact O-N 2.7Å; I382-E385 PolarHBondContact O-N 2.96Å; I382-E385 VanDerWaalsContact O-N 3.13Å; I382-E386 PolarHBondContact O-N 2.99Å
383E97.4Very high97.4Very high113 Ų11368 Ų6853%0.52835%0.347SS..Hα-helixtrans-56.2-44.2179.3-170.9175-145.400111.8T379 E386 V387T379-E383 PolarHBondContact O-N 2.96Å; T379-E383 VanDerWaalsContact O-N 3.12Å; E383-E386 PolarHBondContact O-N 2.81Å; E383-V387 WeakPolarHBondContact O-CG2 3.39Å; E383-V387 PolarHBondContact O-N 2.8Å; E383-V387 VanDerWaalsContact O-N 3.14Å
384N97.8Very high97.5Very high13 Ų1367.9 Ų67.97%0.0735%0.347CS..Hα-helixtrans-72.3-28.6179.3-168.294.6000113.8L380 I382 K388 Y457 G460 R461 I464L380-N384 WeakPolarHBondContact O-CB 3.38Å; L380-N384 PolarHBondContact O-N 2.73Å; I382-N384 VanDerWaalsContact C-N 3.32Å; I382-N384 PolarHBondContact O-N 2.7Å; N384-K388 VanDerWaalsContact O-CB 3.29Å; N384-K388 WeakPolarHBondContact O-CB 3.27Å; N384-K388 PolarHBondContact O-N 3.37Å; N384-Y457 VanDerWaalsContact ND2-CD2 3.31Å; N384-Y457 WeakPolarHBondContact ND2-CD2 3.45Å; N384-Y457 VanDerWaalsContact ND2-CE2 3.28Å; N384-Y457 WeakPolarHBondContact ND2-CE2 3.21Å; N384-Y457 PolarHBondContact OD1-O 2.9Å; N384-Y457 VanDerWaalsContact OD1-O 3.1Å; N384-G460 VanDerWaalsContact OD1-CA 3.25Å; N384-G460 WeakPolarHBondContact OD1-CA 3.3Å; N384-R461 PolarHBondContact OD1-N 3.04Å; N384-I464 HydrophobicContact CB-CD1 3.56Å
385E97.8Very high97.6Very high80 Ų8066.8 Ų66.837%0.37434%0.343SS..Hα-helixtrans-73.3-30.7172.2-77.5-65.7133.400111.9K381 I382 K388 K389K381-E385 WeakPolarHBondContact O-CB 3.46Å; K381-E385 WeakPolarHBondContact O-CG 3.5Å; K381-E385 PolarHBondContact O-N 3.44Å; I382-E385 PolarHBondContact O-N 2.96Å; I382-E385 VanDerWaalsContact O-N 3.13Å; E385-K388 PolarHBondContact O-N 3.02Å; E385-K388 WeakPolarHBondContact OE1-CD 3.49Å; E385-K388 IonicContact OE1-NZ 2.79Å; E385-K388 PolarHBondContact OE1-NZ 3.4Å; E385-K388 IonicContact OE2-NZ 2.8Å; E385-K388 PolarHBondContact OE2-NZ 2.77Å; E385-K389 WeakPolarHBondContact O-CG 3.44Å; E385-K389 PolarHBondContact O-N 3.02Å
386E97.7Very high97.7Very high121 Ų12168.4 Ų68.457%0.56534%0.343SS*.Hα-helixtrans-66-44.7171.4-69174.1-177.500111.8I382 E383 K388 K389 T390I382-E386 PolarHBondContact O-N 2.99Å; E383-E386 PolarHBondContact O-N 2.81Å; E386-K388 VanDerWaalsContact C-N 3.34Å; E386-K388 PolarHBondContact O-N 3.1Å; E386-K389 PolarHBondContact O-N 3.16Å; E386-T390 PolarHBondContact O-N 3Å; E386-T390 PolarHBondContact O-OG1 3.37Å
387V98.2Very high97.6Very high14 Ų1465 Ų659%0.08534%0.337CS..Hα-helixtrans-61.9-42.5173.1-179.90000110.9E383 T390 M391 K453 E456E383-V387 WeakPolarHBondContact O-CG2 3.39Å; E383-V387 PolarHBondContact O-N 2.8Å; E383-V387 VanDerWaalsContact O-N 3.14Å; V387-T390 WeakPolarHBondContact O-CB 3.48Å; V387-T390 PolarHBondContact O-N 3.06Å; V387-M391 WeakPolarHBondContact O-CB 3.38Å; V387-M391 PolarHBondContact O-N 3.06Å; V387-K453 HydrophobicContact CG1-CD 4.12Å; V387-E456 HydrophobicContact CG1-CB 3.93Å; V387-E456 HydrophobicContact CG1-CG 3.85Å; V387-E456 HydrophobicContact CG2-CG 4.09Å; V387-E456 WeakPolarHBondContact CG2-OE1 3.42Å
388K97.9Very high97.6Very high47 Ų4766 Ų6620%0.20434%0.343CS..Hα-helixtrans-60-50.4176.6-177.9-175.3141.3-148.20112N384 E385 E386 T390 M391 E392 Y457N384-K388 VanDerWaalsContact O-CB 3.29Å; N384-K388 WeakPolarHBondContact O-CB 3.27Å; N384-K388 PolarHBondContact O-N 3.37Å; E385-K388 PolarHBondContact O-N 3.02Å; E385-K388 WeakPolarHBondContact OE1-CD 3.49Å; E385-K388 IonicContact OE1-NZ 2.79Å; E385-K388 PolarHBondContact OE1-NZ 3.4Å; E385-K388 IonicContact OE2-NZ 2.8Å; E385-K388 PolarHBondContact OE2-NZ 2.77Å; E386-K388 VanDerWaalsContact C-N 3.34Å; E386-K388 PolarHBondContact O-N 3.1Å; K388-T390 VanDerWaalsContact C-N 3.27Å; K388-T390 PolarHBondContact O-N 2.94Å; K388-M391 HydrophobicContact CG-CE 4.48Å; K388-M391 WeakPolarHBondContact O-CB 3.49Å; K388-M391 PolarHBondContact O-N 3.02Å; K388-M391 VanDerWaalsContact O-N 3.1Å; K388-E392 WeakPolarHBondContact CE-OE1 3.4Å; K388-E392 WeakPolarHBondContact CE-OE2 3.38Å; K388-E392 HydrophobicContact CG-CG 4.31Å; K388-E392 WeakPolarHBondContact CG-OE1 3.49Å; K388-E392 WeakPolarHBondContact O-CB 3.24Å; K388-E392 WeakPolarHBondContact O-CG 3.2Å; K388-E392 PolarHBondContact O-N 3.4Å; K388-Y457 HydrophobicContact CB-CD2 3.7Å; K388-Y457 HydrophobicContact CB-CE2 3.7Å; K388-Y457 HydrophobicContact CD-CE2 3.87Å; K388-Y457 HydrophobicContact CG-CD2 4.18Å; K388-Y457 HydrophobicContact CG-CE2 3.78Å
389K98.2Very high97.6Very high140 Ų14067.8 Ų67.861%0.60935%0.345SS*.Hα-helixtrans-57.9-40.5176.6-75.1175.6179.5-177.30112E385 E386 E392 A393E385-K389 WeakPolarHBondContact O-CG 3.44Å; E385-K389 PolarHBondContact O-N 3.02Å; E386-K389 PolarHBondContact O-N 3.16Å; K389-E392 PolarHBondContact O-N 2.77Å; K389-A393 VanDerWaalsContact O-CB 3.32Å; K389-A393 WeakPolarHBondContact O-CB 3.31Å; K389-A393 PolarHBondContact O-N 3.37Å
390T98.1Very high97.4Very high55 Ų5567.7 Ų67.734%0.33734%0.341SS..Hα-helixtrans-63.2-43.8176-52.60000111.3E386 V387 K388 T394 F449 K453E386-T390 PolarHBondContact O-N 3Å; E386-T390 PolarHBondContact O-OG1 3.37Å; V387-T390 WeakPolarHBondContact O-CB 3.48Å; V387-T390 PolarHBondContact O-N 3.06Å; K388-T390 VanDerWaalsContact C-N 3.27Å; K388-T390 PolarHBondContact O-N 2.94Å; T390-T394 WeakPolarHBondContact O-CB 3.48Å; T390-T394 PolarHBondContact O-N 3.17Å; T390-T394 PolarHBondContact O-OG1 3.33Å; T390-F449 HydrophobicContact CG2-CE1 3.96Å; T390-F449 HydrophobicContact CG2-CZ 4.02Å; T390-K453 HydrophobicContact CG2-CD 3.97Å; T390-K453 HydrophobicContact CG2-CG 4.15Å
391M98.3Very high97.2Very high13 Ų1368.5 Ų68.56%0.06435%0.345CS..Hα-helixtrans-65.4-43.7176.8-179.4-165.27300112.2V387 K388 T394 L395 Y450 K453 M454 Y457V387-M391 WeakPolarHBondContact O-CB 3.38Å; V387-M391 PolarHBondContact O-N 3.06Å; K388-M391 HydrophobicContact CG-CE 4.48Å; K388-M391 WeakPolarHBondContact O-CB 3.49Å; K388-M391 PolarHBondContact O-N 3.02Å; K388-M391 VanDerWaalsContact O-N 3.1Å; M391-T394 PolarHBondContact O-N 2.95Å; M391-L395 WeakPolarHBondContact O-CB 3.49Å; M391-L395 PolarHBondContact O-N 2.85Å; M391-Y450 HydrophobicContact CG-CD2 3.91Å; M391-Y450 HydrophobicContact CG-CE2 3.68Å; M391-K453 HydrophobicContact CB-CB 4.06Å; M391-M454 HydrophobicContact CE-CE 4.19Å; M391-M454 HydrophobicContact CG-CB 4.47Å; M391-M454 HydrophobicContact SD-CB 3.97Å; M391-M454 HydrophobicContact SD-CE 3.46Å; M391-M454 WeakPolarHBondContact SD-CE 3.43Å; M391-M454 HydrophobicContact SD-CG 4.42Å; M391-M454 HydrophobicContact SD-SD 3.67Å; M391-M454 VanDerWaalsContact SD-SD 3.67Å; M391-Y457 HydrophobicContact CE-CD1 4.1Å; M391-Y457 HydrophobicContact CE-CE1 4.35Å; M391-Y457 HydrophobicContact CE-CG 4.37Å; M391-Y457 HydrophobicContact SD-CD1 4.01Å; M391-Y457 HydrophobicContact SD-CG 4.2Å
392E97.6Very high97Very high92 Ų9268 Ų6843%0.4335%0.35SS..Hα-helixtrans-66.5-43178.9-73.2169.7167.300111.4K388 K389 T394 L395 Q396K388-E392 WeakPolarHBondContact CE-OE1 3.4Å; K388-E392 WeakPolarHBondContact CE-OE2 3.38Å; K388-E392 HydrophobicContact CG-CG 4.31Å; K388-E392 WeakPolarHBondContact CG-OE1 3.49Å; K388-E392 WeakPolarHBondContact O-CB 3.24Å; K388-E392 WeakPolarHBondContact O-CG 3.2Å; K388-E392 PolarHBondContact O-N 3.4Å; K389-E392 PolarHBondContact O-N 2.77Å; E392-T394 PolarHBondContact O-N 3.25Å; E392-L395 WeakPolarHBondContact O-CB 3.38Å; E392-L395 PolarHBondContact O-N 3.15Å; E392-Q396 PolarHBondContact O-N 3.01Å
393A98Very high96.8Very high59 Ų5967.3 Ų67.349%0.48835%0.35SS..Hα-helixtrans-62.7-40.7172.900000112.3K389 L395 Q396 T397K389-A393 VanDerWaalsContact O-CB 3.32Å; K389-A393 WeakPolarHBondContact O-CB 3.31Å; K389-A393 PolarHBondContact O-N 3.37Å; A393-L395 VanDerWaalsContact C-N 3.34Å; A393-Q396 PolarHBondContact O-N 3.21Å; A393-T397 PolarHBondContact O-N 3.38Å; A393-T397 PolarHBondContact O-OG1 3.1Å
394T97.6Very high96.5Very high14 Ų1464.6 Ų64.69%0.08634%0.341CS..Hα-helixtrans-65.9-37.9175.5-49.10000111.3T390 M391 E392 T397 I398 T446 F449T390-T394 WeakPolarHBondContact O-CB 3.48Å; T390-T394 PolarHBondContact O-N 3.17Å; T390-T394 PolarHBondContact O-OG1 3.33Å; M391-T394 PolarHBondContact O-N 2.95Å; E392-T394 PolarHBondContact O-N 3.25Å; T394-T397 PolarHBondContact O-N 2.87Å; T394-I398 HydrophobicContact CG2-CD1 4.45Å; T394-I398 WeakPolarHBondContact O-CG1 3.32Å; T394-I398 PolarHBondContact O-N 2.76Å; T394-T446 HydrophobicContact CG2-CG2 3.78Å; T394-F449 HydrophobicContact CG2-CD1 3.85Å
395L97.8Very high96.2Very high63 Ų6371.8 Ų71.833%0.3337%0.374SS..Hα-helixtrans-63.2-42.9175-178.259.9000111.2M391 E392 A393 T397 I398 Q399 Y450M391-L395 WeakPolarHBondContact O-CB 3.49Å; M391-L395 PolarHBondContact O-N 2.85Å; E392-L395 WeakPolarHBondContact O-CB 3.38Å; E392-L395 PolarHBondContact O-N 3.15Å; A393-L395 VanDerWaalsContact C-N 3.34Å; L395-T397 VanDerWaalsContact C-N 3.35Å; L395-T397 PolarHBondContact O-N 2.94Å; L395-I398 WeakPolarHBondContact O-CB 3.18Å; L395-I398 PolarHBondContact O-N 3.05Å; L395-I398 VanDerWaalsContact O-N 3.14Å; L395-Q399 PolarHBondContact O-N 3.31Å; L395-Y450 HydrophobicContact CB-CD2 4.1Å; L395-Y450 HydrophobicContact CB-CE2 3.78Å; L395-Y450 HydrophobicContact CD1-CE2 3.99Å; L395-Y450 HydrophobicContact CD2-CE2 4.37Å; L395-Y450 HydrophobicContact CG-CE2 4.27Å
396Q97.3Very high95.6Very high107 Ų10771.5 Ų71.550%0.538%0.376SS..Hα-helixtrans-58.6-46.4174.4-172.461.452.900111.1E392 A393 I398 Q399 D400E392-Q396 PolarHBondContact O-N 3.01Å; A393-Q396 PolarHBondContact O-N 3.21Å; Q396-I398 VanDerWaalsContact C-N 3.28Å; Q396-I398 PolarHBondContact O-N 2.72Å; Q396-Q399 CarbonylContact O-C 3.52Å; Q396-Q399 WeakPolarHBondContact O-CA 3.34Å; Q396-Q399 WeakPolarHBondContact O-CB 3.45Å; Q396-Q399 PolarHBondContact O-N 2.91Å; Q396-D400 PolarHBondContact NE2-OD1 3.35Å; Q396-D400 PolarHBondContact O-N 3.08Å
397T96.9Very high95.1Very high65 Ų6573.3 Ų73.340%0.39938%0.382SS..Hα-helixtrans-59.2-37.3175.3-52.80000112.7A393 T394 L395 I401 T446A393-T397 PolarHBondContact O-N 3.38Å; A393-T397 PolarHBondContact O-OG1 3.1Å; T394-T397 PolarHBondContact O-N 2.87Å; L395-T397 VanDerWaalsContact C-N 3.35Å; L395-T397 PolarHBondContact O-N 2.94Å; T397-I401 HydrophobicContact CG2-CD1 4.12Å; T397-I401 WeakPolarHBondContact O-CD1 3.29Å; T397-I401 WeakPolarHBondContact O-CG1 3.31Å; T397-I401 PolarHBondContact O-N 2.95Å; T397-I401 VanDerWaalsContact O-N 3.13Å; T397-T446 HydrophobicContact CG2-CG2 4.25Å
398I97Very high94.7Very high22 Ų2278.3 Ų78.311%0.11341%0.408CS..Hα-helixtrans-66.3-42.5173.6-66.2164.8000110.3T394 L395 Q396 I401 V402 T446 E447 Y450T394-I398 HydrophobicContact CG2-CD1 4.45Å; T394-I398 WeakPolarHBondContact O-CG1 3.32Å; T394-I398 PolarHBondContact O-N 2.76Å; L395-I398 WeakPolarHBondContact O-CB 3.18Å; L395-I398 PolarHBondContact O-N 3.05Å; L395-I398 VanDerWaalsContact O-N 3.14Å; Q396-I398 VanDerWaalsContact C-N 3.28Å; Q396-I398 PolarHBondContact O-N 2.72Å; I398-I401 PolarHBondContact O-N 2.93Å; I398-V402 WeakPolarHBondContact O-CG1 3.36Å; I398-V402 WeakPolarHBondContact O-CG2 3.43Å; I398-V402 PolarHBondContact O-N 2.64Å; I398-V402 VanDerWaalsContact O-N 3.1Å; I398-T446 HydrophobicContact CD1-CG2 4.39Å; I398-T446 HydrophobicContact CG1-CG2 3.81Å; I398-E447 HydrophobicContact CD1-CG 4.13Å; I398-E447 HydrophobicContact CG1-CG 4.42Å; I398-Y450 HydrophobicContact CD1-CD1 4.39Å; I398-Y450 HydrophobicContact CD1-CG 3.94Å
399Q95.9Very high94.2Very high91 Ų9180 Ų8043%0.42542%0.422SS..Hα-helixtrans-54.3-54.9174.8-145.982.242.600110.2L395 Q396 I401 V402 T403L395-Q399 PolarHBondContact O-N 3.31Å; Q396-Q399 CarbonylContact O-C 3.52Å; Q396-Q399 WeakPolarHBondContact O-CA 3.34Å; Q396-Q399 WeakPolarHBondContact O-CB 3.45Å; Q396-Q399 PolarHBondContact O-N 2.91Å; Q399-I401 PolarHBondContact O-N 3.26Å; Q399-V402 WeakPolarHBondContact O-CG2 3.36Å; Q399-V402 PolarHBondContact O-N 3.42Å; Q399-T403 PolarHBondContact O-N 2.96Å; Q399-T403 PolarHBondContact O-OG1 3.14Å; Q399-T403 VanDerWaalsContact O-OG1 3.07Å
400D94.6Very high93.6Very high90 Ų9076.5 Ų76.548%0.48142%0.415SS..Hα-helixtrans-58.5-33.9-179.5-52-26000112.5Q396Q396-D400 PolarHBondContact NE2-OD1 3.35Å; Q396-D400 PolarHBondContact O-N 3.08Å
401I93.3Very high92.8Very high44 Ų4478.8 Ų78.823%0.22643%0.425CS..Hα-helixtrans-71.4-37.3176.7-72.1165.1000112T397 I398 Q399 Q443T397-I401 HydrophobicContact CG2-CD1 4.12Å; T397-I401 WeakPolarHBondContact O-CD1 3.29Å; T397-I401 WeakPolarHBondContact O-CG1 3.31Å; T397-I401 PolarHBondContact O-N 2.95Å; T397-I401 VanDerWaalsContact O-N 3.13Å; I398-I401 PolarHBondContact O-N 2.93Å; Q399-I401 PolarHBondContact O-N 3.26Å; I401-Q443 HydrophobicContact CG2-CB 4.2Å; I401-Q443 HydrophobicContact CG2-CG 4Å
402V92.6Very high92Very high80 Ų8081 Ų8149%0.48544%0.442SS..Hα-helixtrans-94.8-15.8-173.7-55.80000114.4I398 Q399I398-V402 WeakPolarHBondContact O-CG1 3.36Å; I398-V402 WeakPolarHBondContact O-CG2 3.43Å; I398-V402 PolarHBondContact O-N 2.64Å; I398-V402 VanDerWaalsContact O-N 3.1Å; Q399-V402 WeakPolarHBondContact O-CG2 3.36Å; Q399-V402 PolarHBondContact O-N 3.42Å
403T92.3Very high91.3Very high91 Ų9183.5 Ų83.556%0.55845%0.451SS*.SBendtrans-98.523.8174.564.20000112.9Q399Q399-T403 PolarHBondContact O-N 2.96Å; Q399-T403 PolarHBondContact O-OG1 3.14Å; Q399-T403 VanDerWaalsContact O-OG1 3.07Å
404V92.4Very high90.6Very high55 Ų5586.9 Ų86.933%0.33346%0.457SS..  trans-69.7131.117463.70000110.5D406V404-D406 VanDerWaalsContact C-N 3.27Å; V404-D406 PolarHBondContact O-N 3.36Å
405E90Very high89.5Confident164 Ų16493.7 Ų93.777%0.76648%0.482SS*.  trans-80.967.8-178.5-61-179.2147.300111.3F407E405-F407 HydrophobicContact CB-CE1 3.88Å; E405-F407 HydrophobicContact CB-CZ 4.2Å; E405-F407 HydrophobicContact CG-CE1 4.03Å; E405-F407 HydrophobicContact CG-CZ 4.31Å
406D86.9Confident87.7Confident75 Ų7595.7 Ų95.740%0.40150%0.501SS..  trans-101.624.9-179.270.3-1.1000115V404 F430V404-D406 VanDerWaalsContact C-N 3.27Å; V404-D406 PolarHBondContact O-N 3.36Å; D406-F430 HydrophobicContact CB-CE1 3.77Å; D406-F430 HydrophobicContact CB-CZ 4.27Å
407F86.5Confident85.6Confident158 Ų15899.1 Ų99.169%0.69352%0.523SS*.  trans-98.2-12.8-179.455-99.6000115.3E405 V409E405-F407 HydrophobicContact CB-CE1 3.88Å; E405-F407 HydrophobicContact CB-CZ 4.2Å; E405-F407 HydrophobicContact CG-CE1 4.03Å; E405-F407 HydrophobicContact CG-CZ 4.31Å; F407-V409 PolarHBondContact O-N 3Å
408D88.4Confident83.3Confident119 Ų119100 Ų10064%0.63653%0.532SS*.  trans-68.7128.1172.2-171.5-3000110.2S410D408-S410 VanDerWaalsContact OD1-CB 3.25Å; D408-S410 WeakPolarHBondContact OD1-CB 3.38Å; D408-S410 PolarHBondContact OD1-N 3.48Å; D408-S410 PolarHBondContact OD1-OG 2.97Å
409V88.9Confident80.9Confident82 Ų82108.1 Ų108.150%0.49757%0.572SS.*  trans-125.417.9-178.4-660000112.3F407 D411 C412 F413F407-V409 PolarHBondContact O-N 3Å; V409-D411 PolarHBondContact O-N 3.5Å; V409-C412 WeakPolarHBondContact O-CB 3.37Å; V409-C412 PolarHBondContact O-N 2.85Å; V409-F413 HydrophobicContact CG2-CE2 4.21Å
410S85.5Confident78.4Confident67 Ų67111.8 Ų111.847%0.46959%0.589SS.*G310 helixtrans-53.9-37.7-177.7-630000113.2D408 C412 F413D408-S410 VanDerWaalsContact OD1-CB 3.25Å; D408-S410 WeakPolarHBondContact OD1-CB 3.38Å; D408-S410 PolarHBondContact OD1-N 3.48Å; D408-S410 PolarHBondContact OD1-OG 2.97Å; S410-C412 PolarHBondContact O-N 3.15Å; S410-F413 PolarHBondContact O-N 3.25Å
411D81.3Confident76.1Confident103 Ų103112 Ų11255%0.55160%0.598SS**G310 helixtrans-59.6-26.8175-73.3-8.4000113.6V409 F413 Q414V409-D411 PolarHBondContact O-N 3.5Å; D411-F413 PolarHBondContact O-N 3.02Å; D411-Q414 PolarHBondContact O-N 2.75Å; D411-Q414 PolarHBondContact OD1-NE2 3.05Å
412C81.3Confident73.8Confident60 Ų60116 Ų11641%0.40562%0.624SS.*G310 helixtrans-67.6-16.2175.3-62.30000113.2V409 S410 Y415V409-C412 WeakPolarHBondContact O-CB 3.37Å; V409-C412 PolarHBondContact O-N 2.85Å; S410-C412 PolarHBondContact O-N 3.15Å; C412-Y415 PolarHBondContact O-OH 2.79Å
413F82.2Confident71.7Confident145 Ų145120.4 Ų120.464%0.63664%0.636SS**G310 helixtrans-105.6-0-179.5-62.4-89.1000113.1V409 S410 D411 Y415V409-F413 HydrophobicContact CG2-CE2 4.21Å; S410-F413 PolarHBondContact O-N 3.25Å; D411-F413 PolarHBondContact O-N 3.02Å; F413-Y415 WeakPolarHBondContact O-CD2 3.29Å; F413-Y415 PolarHBondContact O-N 2.82Å; F413-Y415 VanDerWaalsContact O-N 3.07Å
414Q82.9Confident69.6Low130 Ų130119.6 Ų119.661%0.60763%0.634SS**  trans-82.178.7175.6-66.617732.500111.5D411 S416D411-Q414 PolarHBondContact O-N 2.75Å; D411-Q414 PolarHBondContact OD1-NE2 3.05Å; Q414-S416 PolarHBondContact O-N 2.85Å
415Y76.4Confident67.3Low156 Ų156123.1 Ų123.161%0.61266%0.656SS**  trans-80.3101173.6-55.7-78.5000110.7C412 F413 V422C412-Y415 PolarHBondContact O-OH 2.79Å; F413-Y415 WeakPolarHBondContact O-CD2 3.29Å; F413-Y415 PolarHBondContact O-N 2.82Å; F413-Y415 VanDerWaalsContact O-N 3.07Å; Y415-V422 HydrophobicContact CE1-CG1 4.25Å
416S59.7Low65.2Low105 Ų105119.1 Ų119.173%0.73464%0.643SS**  trans-58.4139.5163.9-73.80000110Q414 S418Q414-S416 PolarHBondContact O-N 2.85Å; S416-S418 PolarHBondContact O-N 2.9Å
417N52.6Low63.2Low179 Ų179119.2 Ų119.296%0.95765%0.649SS**SBendtrans-63.28.5-174.6-78.1-35.7000116.1
418S47.6Very low61.3Low83 Ų83119 Ų11958%0.5865%0.65SS**  trans-86.9122171.5-170.20000110.2S416 E420S416-S418 PolarHBondContact O-N 2.9Å; S418-E420 PolarHBondContact O-N 3.2Å
419M47.3Very low59.6Low194 Ų194119.7 Ų119.796%0.95666%0.659SS**  trans-787.9-179.9-142.1171.968.200113.3
420E44Very low57.7Low167 Ų167120.5 Ų120.578%0.7866%0.656SS**SBendtrans-95.6120.4174.5-73.6-169.9129.600111.6S418S418-E420 PolarHBondContact O-N 3.2Å
421S45.1Very low56.2Low95 Ų95122.1 Ų122.166%0.66466%0.658SS**  trans68.676.5162.5-168.40000117.1K423S421-K423 PolarHBondContact O-N 2.96Å; S421-K423 PolarHBondContact OG-O 3.38Å
422V45.9Very low55.2Low128 Ų128119.2 Ų119.278%0.77665%0.645SS**SBendtrans-72.941159.9-160.80000111.6Y415Y415-V422 HydrophobicContact CE1-CG1 4.25Å
423K47.6Very low54.2Low173 Ų173125.3 Ų125.375%0.75267%0.665SS**SBendtrans-137.1128.5171.8-77.7-177.6176.81760106.9S421S421-K423 PolarHBondContact O-N 2.96Å; S421-K423 PolarHBondContact OG-O 3.38Å
424S48.8Very low53.1Low73 Ų73123.1 Ų123.151%0.5167%0.665SS.*SBendtrans83.568173.2-144.20000117.4
425T43.7Very low52.7Low129 Ų129118.6 Ų118.679%0.79165%0.648SS**SBendtrans-137.1-47.3148.712.20000111.2S427T425-S427 PolarHBondContact O-N 3.21Å
426V46.3Very low52.9Low80 Ų80115.2 Ų115.249%0.48564%0.64SS.*THydrogen-bonded Turntrans-68.4-5.8178.8-1680000113.8
427S45.6Very low54.2Low77 Ų77113 Ų11354%0.53863%0.628SS.*THydrogen-bonded Turntrans-96.6-11.5-167-58.30000116.5T425T425-S427 PolarHBondContact O-N 3.21Å
428E45.4Very low55.9Low153 Ų153112.6 Ų112.672%0.71562%0.618SS**SBendtrans-96.1-11.4-157.9-72-158.7134.700117.9
429T53.4Low57.8Low135 Ų135113.3 Ų113.383%0.82861%0.607SS**SBendtrans-124.1-49.2-174.9-2.10000115.9
430F49.5Very low59.9Low98 Ų98112 Ų11243%0.4359%0.592SS.*SBendtrans-98.8-50.1-173.1-162.6-109.7000113.3D406 S432 S435 R439D406-F430 HydrophobicContact CB-CE1 3.77Å; D406-F430 HydrophobicContact CB-CZ 4.27Å; F430-S432 PolarHBondContact O-N 3.15Å; F430-S435 PolarHBondContact O-OG 3.16Å; F430-R439 VanDerWaalsContact CE1-NH1 3.3Å
431M53.6Low62.2Low102 Ų102106 Ų10650%0.50257%0.571SS.*SBendtrans-90.117.4-168.1-66.7-63.6-169.500115.4
432S60.2Low64.6Low41 Ų41105.5 Ų105.529%0.28756%0.561SS.*  trans-65.1140179.287.70000111.7F430 P434 S435 I436F430-S432 PolarHBondContact O-N 3.15Å; S432-P434 VanDerWaalsContact C-CD 3.47Å; S432-P434 VanDerWaalsContact C-N 3.29Å; S432-S435 PolarHBondContact N-OG 3.24Å; S432-S435 PolarHBondContact O-N 2.65Å; S432-S435 VanDerWaalsContact O-N 3.08Å; S432-S435 PolarHBondContact O-OG 3.13Å; S432-S435 VanDerWaalsContact OG-CB 3.29Å; S432-S435 WeakPolarHBondContact OG-CB 3.36Å; S432-S435 PolarHBondContact OG-N 3.05Å; S432-S435 VanDerWaalsContact OG-N 3.14Å; S432-S435 PolarHBondContact OG-OG 3.45Å; S432-I436 PolarHBondContact O-N 2.89Å
433K60.9Low66.9Low188 Ų188101.9 Ų101.982%0.81754%0.535SS*.Hα-helixtrans-55.7-34.2178.7-71.8-176.8178.4178.30114.2I436 A437K433-I436 WeakPolarHBondContact O-CG2 3.19Å; K433-A437 PolarHBondContact O-N 2.74Å
434P58.8Low69.3Low100 Ų10098.5 Ų98.565%0.64952%0.523SS*.Hα-helixtrans-71.9-39.8172.3-21.935.5000114.2S432 K438S432-P434 VanDerWaalsContact C-CD 3.47Å; S432-P434 VanDerWaalsContact C-N 3.29Å; P434-K438 PolarHBondContact O-N 2.99Å
435S74.6Confident71.6Confident34 Ų34101.4 Ų101.424%0.23853%0.528CS..Hα-helixtrans-67.8-42.9-179.757.30000112F430 S432 A437 K438 R439F430-S435 PolarHBondContact O-OG 3.16Å; S432-S435 PolarHBondContact N-OG 3.24Å; S432-S435 PolarHBondContact O-N 2.65Å; S432-S435 VanDerWaalsContact O-N 3.08Å; S432-S435 PolarHBondContact O-OG 3.13Å; S432-S435 VanDerWaalsContact OG-CB 3.29Å; S432-S435 WeakPolarHBondContact OG-CB 3.36Å; S432-S435 PolarHBondContact OG-N 3.05Å; S432-S435 VanDerWaalsContact OG-N 3.14Å; S432-S435 PolarHBondContact OG-OG 3.45Å; S435-A437 PolarHBondContact O-N 3.49Å; S435-K438 PolarHBondContact O-N 3.29Å; S435-R439 PolarHBondContact O-N 2.96Å
436I80.6Confident74.2Confident86 Ų8696.3 Ų96.344%0.44150%0.497SS..Hα-helixtrans-65.7-37.5-179.9-158170.4000112.2S432 K433 R440S432-I436 PolarHBondContact O-N 2.89Å; K433-I436 WeakPolarHBondContact O-CG2 3.19Å; I436-R440 WeakPolarHBondContact O-CB 3.43Å; I436-R440 PolarHBondContact O-N 2.85Å
437A86.1Confident76.6Confident59 Ų5995.5 Ų95.549%0.48849%0.488SS..Hα-helixtrans-65.5-39.8175.700000112K433 S435 R440 A441K433-A437 PolarHBondContact O-N 2.74Å; S435-A437 PolarHBondContact O-N 3.49Å; A437-R440 PolarHBondContact O-N 3.14Å; A437-A441 PolarHBondContact O-N 3.01Å
438K89.2Confident79.1Confident170 Ų17097.6 Ų97.674%0.73949%0.489SS*.Hα-helixtrans-67.1-44.3176.9-171.5-179.8178.2-1740112.2P434 S435 A441 N442P434-K438 PolarHBondContact O-N 2.99Å; S435-K438 PolarHBondContact O-N 3.29Å; K438-A441 PolarHBondContact O-N 3.08Å; K438-N442 PolarHBondContact O-N 2.91Å; K438-N442 VanDerWaalsContact O-N 3.14Å
439R86.3Confident81.6Confident97 Ų9794.8 Ų94.837%0.36648%0.475SS..Hα-helixtrans-57.8-47.5173.7-76.217967.3-158.2-2.8111.1F430 S435 A441 N442 Q443F430-R439 VanDerWaalsContact CE1-NH1 3.3Å; S435-R439 PolarHBondContact O-N 2.96Å; R439-A441 PolarHBondContact O-N 3.32Å; R439-N442 PolarHBondContact O-N 3.18Å; R439-Q443 PolarHBondContact O-N 3.05Å
440R91.8Very high83.8Confident166 Ų16690.2 Ų90.263%0.62644%0.442SS*.Hα-helixtrans-63-38.7179.5-169.3178-173.4-172.53.6113.5I436 A437 Q443 Q444I436-R440 WeakPolarHBondContact O-CB 3.43Å; I436-R440 PolarHBondContact O-N 2.85Å; A437-R440 PolarHBondContact O-N 3.14Å; R440-Q443 PolarHBondContact O-N 2.87Å; R440-Q444 WeakPolarHBondContact O-CG 3.48Å; R440-Q444 PolarHBondContact O-N 3.42Å; R440-Q444 VanDerWaalsContact O-N 3.09Å
441A93.8Very high86.1Confident42 Ų4291 Ų9135%0.34745%0.446SS..Hα-helixtrans-63.7-45.3175.500000111.4A437 K438 R439 Q443 Q444 E445A437-A441 PolarHBondContact O-N 3.01Å; K438-A441 PolarHBondContact O-N 3.08Å; R439-A441 PolarHBondContact O-N 3.32Å; A441-Q443 PolarHBondContact O-N 3.4Å; A441-Q444 PolarHBondContact O-N 2.98Å; A441-E445 WeakPolarHBondContact O-CG 3.29Å; A441-E445 PolarHBondContact O-N 3.07Å
442N94.7Very high88.2Confident85 Ų8589.2 Ų89.246%0.45544%0.441SS..Hα-helixtrans-63.2-39.9177.3177-105.9000112.7K438 R439 E445 T446K438-N442 PolarHBondContact O-N 2.91Å; K438-N442 VanDerWaalsContact O-N 3.14Å; R439-N442 PolarHBondContact O-N 3.18Å; N442-E445 PolarHBondContact O-N 3.01Å; N442-T446 WeakPolarHBondContact O-CB 3.39Å; N442-T446 PolarHBondContact O-N 3.48Å; N442-T446 PolarHBondContact O-OG1 3.03Å
443Q95.1Very high90Very high51 Ų5189.1 Ų89.124%0.23844%0.435CS..Hα-helixtrans-57.2-49.9171.2-178.9-174.1-6.700111.3I401 R439 R440 A441 E445 T446 E447I401-Q443 HydrophobicContact CG2-CB 4.2Å; I401-Q443 HydrophobicContact CG2-CG 4Å; R439-Q443 PolarHBondContact O-N 3.05Å; R440-Q443 PolarHBondContact O-N 2.87Å; A441-Q443 PolarHBondContact O-N 3.4Å; Q443-E445 VanDerWaalsContact C-N 3.35Å; Q443-E445 PolarHBondContact O-N 3.24Å; Q443-T446 WeakPolarHBondContact O-CB 3.43Å; Q443-T446 PolarHBondContact O-N 2.84Å; Q443-T446 VanDerWaalsContact O-N 3.11Å; Q443-E447 HydrophobicContact CG-CG 4.43Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.12Å; Q443-E447 PolarHBondContact NE2-OE1 3.41Å; Q443-E447 WeakPolarHBondContact O-CG 3.36Å; Q443-E447 PolarHBondContact O-N 3.48Å
444Q96.6Very high91.8Very high103 Ų10382.3 Ų82.348%0.48141%0.407SS..Hα-helixtrans-62.9-38.3-179.6-72.8177.9-13.200113R440 A441 T446 Q448R440-Q444 WeakPolarHBondContact O-CG 3.48Å; R440-Q444 PolarHBondContact O-N 3.42Å; R440-Q444 VanDerWaalsContact O-N 3.09Å; A441-Q444 PolarHBondContact O-N 2.98Å; Q444-T446 VanDerWaalsContact C-N 3.33Å; Q444-Q448 VanDerWaalsContact O-CB 3.23Å; Q444-Q448 WeakPolarHBondContact O-CB 3.25Å; Q444-Q448 PolarHBondContact O-N 3.32Å
445E97.8Very high93.7Very high133 Ų13383.7 Ų83.762%0.62140%0.403SS*.Hα-helixtrans-63.3-39.8173.3-72.5171.9174.400111.6A441 N442 Q443 Q448 F449A441-E445 WeakPolarHBondContact O-CG 3.29Å; A441-E445 PolarHBondContact O-N 3.07Å; N442-E445 PolarHBondContact O-N 3.01Å; Q443-E445 VanDerWaalsContact C-N 3.35Å; Q443-E445 PolarHBondContact O-N 3.24Å; E445-Q448 PolarHBondContact O-N 3.22Å; E445-F449 PolarHBondContact O-N 2.75Å
446T97.1Very high94.8Very high23 Ų2385.8 Ų85.814%0.14141%0.409CS..Hα-helixtrans-69.5-44.7179-52.70000111.5T394 T397 I398 N442 Q443 Q444 Q448 F449 Y450T394-T446 HydrophobicContact CG2-CG2 3.78Å; T397-T446 HydrophobicContact CG2-CG2 4.25Å; I398-T446 HydrophobicContact CD1-CG2 4.39Å; I398-T446 HydrophobicContact CG1-CG2 3.81Å; N442-T446 WeakPolarHBondContact O-CB 3.39Å; N442-T446 PolarHBondContact O-N 3.48Å; N442-T446 PolarHBondContact O-OG1 3.03Å; Q443-T446 WeakPolarHBondContact O-CB 3.43Å; Q443-T446 PolarHBondContact O-N 2.84Å; Q443-T446 VanDerWaalsContact O-N 3.11Å; Q444-T446 VanDerWaalsContact C-N 3.33Å; T446-Q448 VanDerWaalsContact C-N 3.34Å; T446-Q448 PolarHBondContact O-N 3.13Å; T446-F449 PolarHBondContact O-N 2.91Å; T446-Y450 PolarHBondContact O-N 3.14Å
447E97.8Very high95.6Very high62 Ų6283 Ų8329%0.2939%0.393SS..Hα-helixtrans-58.6-44.3171.9-72.4171.2-177.200111.5I398 Q443 F449 Y450 F451I398-E447 HydrophobicContact CD1-CG 4.13Å; I398-E447 HydrophobicContact CG1-CG 4.42Å; Q443-E447 HydrophobicContact CG-CG 4.43Å; Q443-E447 WeakPolarHBondContact CG-OE1 3.12Å; Q443-E447 PolarHBondContact NE2-OE1 3.41Å; Q443-E447 WeakPolarHBondContact O-CG 3.36Å; Q443-E447 PolarHBondContact O-N 3.48Å; E447-F449 VanDerWaalsContact C-N 3.32Å; E447-F449 PolarHBondContact O-N 3.29Å; E447-Y450 WeakPolarHBondContact O-CB 3.46Å; E447-Y450 PolarHBondContact O-N 3.02Å; E447-F451 WeakPolarHBondContact O-CD2 3.26Å; E447-F451 PolarHBondContact O-N 3.42Å
448Q98.1Very high96.2Very high121 Ų12183.9 Ų83.957%0.56539%0.389SS*.Hα-helixtrans-64.3-36.4177.6-177.757.860.500112.1Q444 E445 T446 T452Q444-Q448 VanDerWaalsContact O-CB 3.23Å; Q444-Q448 WeakPolarHBondContact O-CB 3.25Å; Q444-Q448 PolarHBondContact O-N 3.32Å; E445-Q448 PolarHBondContact O-N 3.22Å; T446-Q448 VanDerWaalsContact C-N 3.34Å; T446-Q448 PolarHBondContact O-N 3.13Å; Q448-T452 PolarHBondContact O-N 2.68Å; Q448-T452 PolarHBondContact O-OG1 3.26Å
449F98.4Very high96.6Very high95 Ų9582.6 Ų82.642%0.41739%0.386SS..Hα-helixtrans-68.3-44.8172.8-175.8-110.7000111.8T390 T394 E445 T446 E447 F451 T452 K453T390-F449 HydrophobicContact CG2-CE1 3.96Å; T390-F449 HydrophobicContact CG2-CZ 4.02Å; T394-F449 HydrophobicContact CG2-CD1 3.85Å; E445-F449 PolarHBondContact O-N 2.75Å; T446-F449 PolarHBondContact O-N 2.91Å; E447-F449 VanDerWaalsContact C-N 3.32Å; E447-F449 PolarHBondContact O-N 3.29Å; F449-F451 PolarHBondContact O-N 2.88Å; F449-T452 WeakPolarHBondContact O-CA 3.48Å; F449-T452 WeakPolarHBondContact O-CB 3.24Å; F449-T452 PolarHBondContact O-N 2.69Å; F449-K453 HydrophobicContact CE1-CG 4.1Å; F449-K453 HydrophobicContact CE2-CG 4.23Å; F449-K453 HydrophobicContact CZ-CD 4.4Å; F449-K453 HydrophobicContact CZ-CG 3.92Å; F449-K453 PolarHBondContact O-N 2.97Å
450Y98.5Very high97.1Very high38 Ų3878.9 Ų78.915%0.14938%0.378CS..Hα-helixtrans-55.3-50.1174.1169-99.4000112M391 L395 I398 T446 E447 T452 K453 M454M391-Y450 HydrophobicContact CG-CD2 3.91Å; M391-Y450 HydrophobicContact CG-CE2 3.68Å; L395-Y450 HydrophobicContact CB-CD2 4.1Å; L395-Y450 HydrophobicContact CB-CE2 3.78Å; L395-Y450 HydrophobicContact CD1-CE2 3.99Å; L395-Y450 HydrophobicContact CD2-CE2 4.37Å; L395-Y450 HydrophobicContact CG-CE2 4.27Å; I398-Y450 HydrophobicContact CD1-CD1 4.39Å; I398-Y450 HydrophobicContact CD1-CG 3.94Å; T446-Y450 PolarHBondContact O-N 3.14Å; E447-Y450 WeakPolarHBondContact O-CB 3.46Å; E447-Y450 PolarHBondContact O-N 3.02Å; Y450-T452 PolarHBondContact O-N 2.74Å; Y450-K453 PolarHBondContact O-N 2.8Å; Y450-K453 VanDerWaalsContact O-N 3.16Å; Y450-M454 HydrophobicContact CE1-CE 4.5Å; Y450-M454 HydrophobicContact CE2-CE 4.3Å; Y450-M454 WeakPolarHBondContact O-CB 3.29Å; Y450-M454 PolarHBondContact O-N 3.39Å; Y450-M454 WeakPolarHBondContact OH-CE 3.43Å
451F98.2Very high97.4Very high114 Ų11477.2 Ų77.250%0.537%0.371SS..Hα-helixtrans-65-25.1177.6-80-65000113.4E447 F449 K455E447-F451 WeakPolarHBondContact O-CD2 3.26Å; E447-F451 PolarHBondContact O-N 3.42Å; F449-F451 PolarHBondContact O-N 2.88Å; F451-K455 WeakPolarHBondContact O-CD 3.28Å; F451-K455 VanDerWaalsContact O-CG 3.29Å; F451-K455 WeakPolarHBondContact O-CG 3.37Å; F451-K455 PolarHBondContact O-N 2.96Å
452T98.4Very high97.6Very high66 Ų6679.4 Ų79.441%0.40538%0.377SS..Hα-helixtrans-70.5-48172.8-56.30000110.1Q448 F449 Y450 K455 E456Q448-T452 PolarHBondContact O-N 2.68Å; Q448-T452 PolarHBondContact O-OG1 3.26Å; F449-T452 WeakPolarHBondContact O-CA 3.48Å; F449-T452 WeakPolarHBondContact O-CB 3.24Å; F449-T452 PolarHBondContact O-N 2.69Å; Y450-T452 PolarHBondContact O-N 2.74Å; T452-K455 PolarHBondContact O-N 2.92Å; T452-E456 PolarHBondContact O-N 3.12Å
453K98.1Very high97.7Very high39 Ų3978.2 Ų78.217%0.1737%0.37CS..Hα-helixtrans-69.7-34178.8-71-73.7159.2-162.80113.6V387 T390 M391 F449 Y450 K455 E456 Y457V387-K453 HydrophobicContact CG1-CD 4.12Å; T390-K453 HydrophobicContact CG2-CD 3.97Å; T390-K453 HydrophobicContact CG2-CG 4.15Å; M391-K453 HydrophobicContact CB-CB 4.06Å; F449-K453 HydrophobicContact CE1-CG 4.1Å; F449-K453 HydrophobicContact CE2-CG 4.23Å; F449-K453 HydrophobicContact CZ-CD 4.4Å; F449-K453 HydrophobicContact CZ-CG 3.92Å; F449-K453 PolarHBondContact O-N 2.97Å; Y450-K453 PolarHBondContact O-N 2.8Å; Y450-K453 VanDerWaalsContact O-N 3.16Å; K453-K455 PolarHBondContact O-N 3.27Å; K453-E456 WeakPolarHBondContact CD-OE2 3.21Å; K453-E456 WeakPolarHBondContact CE-OE2 3.43Å; K453-E456 VanDerWaalsContact NZ-CD 3.26Å; K453-E456 IonicContact NZ-OE1 3.48Å; K453-E456 PolarHBondContact NZ-OE1 2.88Å; K453-E456 IonicContact NZ-OE2 3.11Å; K453-E456 PolarHBondContact NZ-OE2 2.85Å; K453-E456 PolarHBondContact O-N 2.92Å; K453-Y457 WeakPolarHBondContact O-CB 3.19Å; K453-Y457 PolarHBondContact O-N 3.21Å
454M98.1Very high97.9Very high44 Ų4476.8 Ų76.822%0.21736%0.364CS..Hα-helixtrans-61.2-41.5172.417561.776.700112.1M391 Y450 Y457 L458M391-M454 HydrophobicContact CE-CE 4.19Å; M391-M454 HydrophobicContact CG-CB 4.47Å; M391-M454 HydrophobicContact SD-CB 3.97Å; M391-M454 HydrophobicContact SD-CE 3.46Å; M391-M454 WeakPolarHBondContact SD-CE 3.43Å; M391-M454 HydrophobicContact SD-CG 4.42Å; M391-M454 HydrophobicContact SD-SD 3.67Å; M391-M454 VanDerWaalsContact SD-SD 3.67Å; Y450-M454 HydrophobicContact CE1-CE 4.5Å; Y450-M454 HydrophobicContact CE2-CE 4.3Å; Y450-M454 WeakPolarHBondContact O-CB 3.29Å; Y450-M454 PolarHBondContact O-N 3.39Å; Y450-M454 WeakPolarHBondContact OH-CE 3.43Å; M454-Y457 HydrophobicContact SD-CD1 4.36Å; M454-L458 HydrophobicContact CG-CD1 4Å; M454-L458 WeakPolarHBondContact O-CB 3.27Å; M454-L458 VanDerWaalsContact O-CG 3.23Å; M454-L458 WeakPolarHBondContact O-CG 3.43Å; M454-L458 PolarHBondContact O-N 3.4Å; M454-L458 HydrophobicContact SD-CD1 3.81Å; M454-L458 HydrophobicContact SD-CD2 4.44Å; M454-L458 HydrophobicContact SD-CG 3.9Å
455K98.1Very high97.9Very high129 Ų12976 Ų7656%0.56137%0.367SS*.Hα-helixtrans-63.8-48.5176.1-72.9168-175.5174.30111.4F451 T452 K453 Y457 L458 E459F451-K455 WeakPolarHBondContact O-CD 3.28Å; F451-K455 VanDerWaalsContact O-CG 3.29Å; F451-K455 WeakPolarHBondContact O-CG 3.37Å; F451-K455 PolarHBondContact O-N 2.96Å; T452-K455 PolarHBondContact O-N 2.92Å; K453-K455 PolarHBondContact O-N 3.27Å; K455-Y457 PolarHBondContact O-N 2.83Å; K455-L458 PolarHBondContact O-N 3.47Å; K455-E459 WeakPolarHBondContact O-CG 3.41Å; K455-E459 PolarHBondContact O-N 3Å
456E98.1Very high97.9Very high79 Ų7976.1 Ų76.137%0.36937%0.365SS..Hα-helixtrans-57.1-47.2177.2-169.6-179.5162.600111.6V387 T452 K453 E459 G460V387-E456 HydrophobicContact CG1-CB 3.93Å; V387-E456 HydrophobicContact CG1-CG 3.85Å; V387-E456 HydrophobicContact CG2-CG 4.09Å; V387-E456 WeakPolarHBondContact CG2-OE1 3.42Å; T452-E456 PolarHBondContact O-N 3.12Å; K453-E456 WeakPolarHBondContact CD-OE2 3.21Å; K453-E456 WeakPolarHBondContact CE-OE2 3.43Å; K453-E456 VanDerWaalsContact NZ-CD 3.26Å; K453-E456 IonicContact NZ-OE1 3.48Å; K453-E456 PolarHBondContact NZ-OE1 2.88Å; K453-E456 IonicContact NZ-OE2 3.11Å; K453-E456 PolarHBondContact NZ-OE2 2.85Å; K453-E456 PolarHBondContact O-N 2.92Å; E456-E459 PolarHBondContact O-N 2.76Å; E456-G460 PolarHBondContact O-N 3.04Å
457Y98.2Very high97.9Very high27 Ų2776 Ų7611%0.10636%0.363CS..Hα-helixtrans-61-43.9174.6169.2-103.9000113N384 K388 M391 K453 M454 K455 R461N384-Y457 VanDerWaalsContact ND2-CD2 3.31Å; N384-Y457 WeakPolarHBondContact ND2-CD2 3.45Å; N384-Y457 VanDerWaalsContact ND2-CE2 3.28Å; N384-Y457 WeakPolarHBondContact ND2-CE2 3.21Å; N384-Y457 PolarHBondContact OD1-O 2.9Å; N384-Y457 VanDerWaalsContact OD1-O 3.1Å; K388-Y457 HydrophobicContact CB-CD2 3.7Å; K388-Y457 HydrophobicContact CB-CE2 3.7Å; K388-Y457 HydrophobicContact CD-CE2 3.87Å; K388-Y457 HydrophobicContact CG-CD2 4.18Å; K388-Y457 HydrophobicContact CG-CE2 3.78Å; M391-Y457 HydrophobicContact CE-CD1 4.1Å; M391-Y457 HydrophobicContact CE-CE1 4.35Å; M391-Y457 HydrophobicContact CE-CG 4.37Å; M391-Y457 HydrophobicContact SD-CD1 4.01Å; M391-Y457 HydrophobicContact SD-CG 4.2Å; K453-Y457 WeakPolarHBondContact O-CB 3.19Å; K453-Y457 PolarHBondContact O-N 3.21Å; M454-Y457 HydrophobicContact SD-CD1 4.36Å; K455-Y457 PolarHBondContact O-N 2.83Å; Y457-R461 WeakPolarHBondContact O-CB 3.32Å; Y457-R461 PolarHBondContact O-N 3.46Å; Y457-R461 PolarHBondContact OH-NH1 2.94Å
458L97.7Very high97.9Very high78 Ų7874.9 Ų74.941%0.40836%0.358SS..Hα-helixtrans-68.2-36.9179.1-72.4172.9000111.8M454 K455 N462M454-L458 HydrophobicContact CG-CD1 4Å; M454-L458 WeakPolarHBondContact O-CB 3.27Å; M454-L458 VanDerWaalsContact O-CG 3.23Å; M454-L458 WeakPolarHBondContact O-CG 3.43Å; M454-L458 PolarHBondContact O-N 3.4Å; M454-L458 HydrophobicContact SD-CD1 3.81Å; M454-L458 HydrophobicContact SD-CD2 4.44Å; M454-L458 HydrophobicContact SD-CG 3.9Å; K455-L458 PolarHBondContact O-N 3.47Å; L458-N462 WeakPolarHBondContact O-CB 3.31Å; L458-N462 PolarHBondContact O-N 2.84Å; L458-N462 PolarHBondContact O-ND2 3.04Å
459E97.6Very high97.8Very high143 Ų14372.2 Ų72.267%0.66836%0.357SS*.Hα-helixtrans-66.2-46.5175.1-74179.5-168.300112K455 E456 N462 L463K455-E459 WeakPolarHBondContact O-CG 3.41Å; K455-E459 PolarHBondContact O-N 3Å; E456-E459 PolarHBondContact O-N 2.76Å; E459-N462 PolarHBondContact O-N 2.78Å; E459-L463 PolarHBondContact O-N 2.63Å; E459-L463 VanDerWaalsContact O-N 3.1Å
460G97.4Very high97.7Very high19 Ų1973.9 Ų73.920%0.19636%0.364CS..Hα-helixtrans-61.2-49.9174.700000112.5N384 E456 N462 L463 I464N384-G460 VanDerWaalsContact OD1-CA 3.25Å; N384-G460 WeakPolarHBondContact OD1-CA 3.3Å; E456-G460 PolarHBondContact O-N 3.04Å; G460-N462 VanDerWaalsContact C-N 3.33Å; G460-N462 PolarHBondContact O-N 3.46Å; G460-L463 WeakPolarHBondContact O-CB 3.3Å; G460-L463 PolarHBondContact O-N 2.98Å; G460-L463 VanDerWaalsContact O-N 3.07Å; G460-I464 WeakPolarHBondContact O-CG1 3.28Å; G460-I464 PolarHBondContact O-N 3.36Å
461R97.8Very high97.6Very high131 Ų13172.8 Ų72.849%0.49436%0.36SS..Hα-helixtrans-57.5-43.6175.7-172.6179.1-175.9175.5-2.6111.9N384 Y457 L463 I464 T465N384-R461 PolarHBondContact OD1-N 3.04Å; Y457-R461 WeakPolarHBondContact O-CB 3.32Å; Y457-R461 PolarHBondContact O-N 3.46Å; Y457-R461 PolarHBondContact OH-NH1 2.94Å; R461-L463 VanDerWaalsContact C-N 3.29Å; R461-L463 PolarHBondContact O-N 3.5Å; R461-I464 PolarHBondContact O-N 3.1Å; R461-T465 PolarHBondContact O-N 3.02Å; R461-T465 PolarHBondContact O-OG1 2.9Å
462N97.4Very high97.4Very high88 Ų8871 Ų7147%0.47136%0.356SS..Hα-helixtrans-60.6-36.4176.3-85.1-42.2000112.7L458 E459 G460 K466L458-N462 WeakPolarHBondContact O-CB 3.31Å; L458-N462 PolarHBondContact O-N 2.84Å; L458-N462 PolarHBondContact O-ND2 3.04Å; E459-N462 PolarHBondContact O-N 2.78Å; G460-N462 VanDerWaalsContact C-N 3.33Å; G460-N462 PolarHBondContact O-N 3.46Å; N462-K466 VanDerWaalsContact O-CD 3.24Å; N462-K466 WeakPolarHBondContact O-CD 3.28Å; N462-K466 WeakPolarHBondContact O-CE 3.45Å; N462-K466 WeakPolarHBondContact O-CG 3.49Å; N462-K466 PolarHBondContact O-N 2.87Å
463L97.8Very high97.3Very high59 Ų5972.5 Ų72.531%0.30936%0.361SS..Hα-helixtrans-71.5-44.9174.2-178.359.1000111.4L380 E459 G460 R461 T465 K466 L467L380-L463 HydrophobicContact CD1-CD2 3.72Å; L380-L463 HydrophobicContact CD1-CG 3.99Å; L380-L463 HydrophobicContact CD2-CD2 4.17Å; E459-L463 PolarHBondContact O-N 2.63Å; E459-L463 VanDerWaalsContact O-N 3.1Å; G460-L463 WeakPolarHBondContact O-CB 3.3Å; G460-L463 PolarHBondContact O-N 2.98Å; G460-L463 VanDerWaalsContact O-N 3.07Å; R461-L463 VanDerWaalsContact C-N 3.29Å; R461-L463 PolarHBondContact O-N 3.5Å; L463-T465 PolarHBondContact O-N 3.4Å; L463-K466 PolarHBondContact O-N 3.25Å; L463-L467 HydrophobicContact CD1-CD1 3.98Å; L463-L467 HydrophobicContact CD1-CG 4.06Å; L463-L467 HydrophobicContact CG-CD1 3.99Å; L463-L467 HydrophobicContact CG-CG 4.42Å; L463-L467 WeakPolarHBondContact O-CG 3.37Å; L463-L467 PolarHBondContact O-N 3.37Å
464I97.9Very high97.1Very high21 Ų2171.4 Ų71.411%0.10836%0.357CS..Hα-helixtrans-57-50.8177.4-67.3164000110.5L377 L380 K381 N384 G460 R461 K466 L467 Q468L377-I464 HydrophobicContact CD2-CG2 4.07Å; L380-I464 HydrophobicContact CB-CD1 4.33Å; L380-I464 HydrophobicContact CB-CG1 3.9Å; K381-I464 HydrophobicContact CG-CD1 4.28Å; K381-I464 HydrophobicContact CG-CG2 4.22Å; N384-I464 HydrophobicContact CB-CD1 3.56Å; G460-I464 WeakPolarHBondContact O-CG1 3.28Å; G460-I464 PolarHBondContact O-N 3.36Å; R461-I464 PolarHBondContact O-N 3.1Å; I464-K466 VanDerWaalsContact C-N 3.3Å; I464-K466 PolarHBondContact O-N 3.41Å; I464-L467 PolarHBondContact O-N 3.28Å; I464-L467 VanDerWaalsContact O-N 3.14Å; I464-Q468 WeakPolarHBondContact O-CB 3.49Å; I464-Q468 PolarHBondContact O-N 3.32Å
465T97.6Very high96.9Very high87 Ų8774 Ų7453%0.53437%0.368SS..Hα-helixtrans-56.7-42.1178.9-60.70000112.3R461 L463 A469R461-T465 PolarHBondContact O-N 3.02Å; R461-T465 PolarHBondContact O-OG1 2.9Å; L463-T465 PolarHBondContact O-N 3.4Å; T465-A469 WeakPolarHBondContact O-CB 3.31Å; T465-A469 PolarHBondContact O-N 2.99Å; T465-A469 VanDerWaalsContact O-N 3.15Å
466K97.4Very high96.5Very high135 Ų13574.3 Ų74.359%0.58737%0.37SS*.Hα-helixtrans-67.1-36178.3-70.1165.9-168.4170.60113.2N462 L463 I464 K470N462-K466 VanDerWaalsContact O-CD 3.24Å; N462-K466 WeakPolarHBondContact O-CD 3.28Å; N462-K466 WeakPolarHBondContact O-CE 3.45Å; N462-K466 WeakPolarHBondContact O-CG 3.49Å; N462-K466 PolarHBondContact O-N 2.87Å; L463-K466 PolarHBondContact O-N 3.25Å; I464-K466 VanDerWaalsContact C-N 3.3Å; I464-K466 PolarHBondContact O-N 3.41Å; K466-K470 WeakPolarHBondContact O-CG 3.34Å
467L97.8Very high96.1Very high20 Ų2071.8 Ų71.811%0.10536%0.36CS..Hα-helixtrans-81.1-40.2179.8-65.3-179.6000111.5L373 R376 L377 L380 L463 I464 K470 H471L373-L467 HydrophobicContact CD2-CB 4.34Å; L373-L467 HydrophobicContact CD2-CD2 3.75Å; R376-L467 HydrophobicContact CG-CD1 4.35Å; L377-L467 HydrophobicContact CD1-CB 4.42Å; L377-L467 HydrophobicContact CD2-CB 3.79Å; L377-L467 HydrophobicContact CG-CB 4.06Å; L380-L467 HydrophobicContact CD1-CD1 3.7Å; L463-L467 HydrophobicContact CD1-CD1 3.98Å; L463-L467 HydrophobicContact CD1-CG 4.06Å; L463-L467 HydrophobicContact CG-CD1 3.99Å; L463-L467 HydrophobicContact CG-CG 4.42Å; L463-L467 WeakPolarHBondContact O-CG 3.37Å; L463-L467 PolarHBondContact O-N 3.37Å; I464-L467 PolarHBondContact O-N 3.28Å; I464-L467 VanDerWaalsContact O-N 3.14Å; L467-K470 PolarHBondContact O-N 3.34Å; L467-H471 WeakPolarHBondContact O-CB 3.26Å; L467-H471 PolarHBondContact O-N 3.36Å
468Q97.1Very high95.5Very high40 Ų4071.5 Ų71.519%0.18736%0.36CS..Hα-helixtrans-61.4-48.4178.6-170.168.461.700110.9L377 I464 K470 H471 D472L377-Q468 HydrophobicContact CD1-CB 4.45Å; L377-Q468 HydrophobicContact CD2-CB 4.12Å; I464-Q468 WeakPolarHBondContact O-CB 3.49Å; I464-Q468 PolarHBondContact O-N 3.32Å; Q468-K470 PolarHBondContact O-N 3.48Å; Q468-H471 WeakPolarHBondContact O-CB 3.37Å; Q468-H471 PolarHBondContact O-N 3.2Å; Q468-H471 VanDerWaalsContact O-N 3.1Å; Q468-D472 WeakPolarHBondContact CG-OD2 3.43Å; Q468-D472 PolarHBondContact NE2-OD1 2.97Å; Q468-D472 PolarHBondContact NE2-OD2 3.1Å; Q468-D472 PolarHBondContact O-N 2.95Å
469A96.4Very high94Very high65 Ų6569.1 Ų69.154%0.53735%0.354SS..Hα-helixtrans-59.1-31.9177.400000113.5T465 L473T465-A469 WeakPolarHBondContact O-CB 3.31Å; T465-A469 PolarHBondContact O-N 2.99Å; T465-A469 VanDerWaalsContact O-N 3.15Å; A469-L473 PolarHBondContact O-N 2.82Å
470K96.4Very high91.8Very high130 Ų13068 Ų6857%0.56535%0.349SS*.Hα-helixtrans-76.9-41.8174.7-69.7178.9-179-176.40112L373 K466 L467 Q468 L474L373-K470 HydrophobicContact CD1-CB 4.2Å; K466-K470 WeakPolarHBondContact O-CG 3.34Å; L467-K470 PolarHBondContact O-N 3.34Å; Q468-K470 PolarHBondContact O-N 3.48Å; K470-L474 WeakPolarHBondContact O-CG 3.32Å; K470-L474 PolarHBondContact O-N 2.87Å; K470-L474 VanDerWaalsContact O-N 3.17Å
471H96.4Very high89.3Confident14 Ų1469.3 Ų69.37%0.06536%0.355CS..Hα-helixtrans-58.6-49.8174.8172.2-89000110.9L373 Q374 L377 L467 Q468 L473 L474 Q475L373-H471 HydrophobicContact CB-CB 4.2Å; L373-H471 HydrophobicContact CD1-CB 4.48Å; Q374-H471 PolarHBondContact OE1-NE2 3.17Å; L377-H471 HydrophobicContact CD1-CB 3.66Å; L467-H471 WeakPolarHBondContact O-CB 3.26Å; L467-H471 PolarHBondContact O-N 3.36Å; Q468-H471 WeakPolarHBondContact O-CB 3.37Å; Q468-H471 PolarHBondContact O-N 3.2Å; Q468-H471 VanDerWaalsContact O-N 3.1Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.18Å; H471-L474 PolarHBondContact O-N 3.46Å; H471-L474 VanDerWaalsContact O-N 3.13Å; H471-Q475 VanDerWaalsContact O-CB 3.29Å; H471-Q475 WeakPolarHBondContact O-CB 3.34Å; H471-Q475 PolarHBondContact O-N 3.12Å
472D94.8Very high86.6Confident78 Ų7871.4 Ų71.442%0.41737%0.37SS..Hα-helixtrans-67.6-33.9-173.4-61.2-16.6000112.4Q468 K476Q468-D472 WeakPolarHBondContact CG-OD2 3.43Å; Q468-D472 PolarHBondContact NE2-OD1 2.97Å; Q468-D472 PolarHBondContact NE2-OD2 3.1Å; Q468-D472 PolarHBondContact O-N 2.95Å; D472-K476 VanDerWaalsContact O-CB 3.32Å; D472-K476 WeakPolarHBondContact O-CB 3.45Å; D472-K476 PolarHBondContact O-N 3.23Å
473L95.3Very high83.8Confident97 Ų9775.5 Ų75.551%0.50838%0.379SS..Hα-helixtrans-66.2-43.9172.5-172.565.7000111.7L356 A469 H471 T477L356-L473 HydrophobicContact CD1-CD2 4.03Å; L356-L473 HydrophobicContact CD1-CG 3.76Å; L356-L473 HydrophobicContact CG-CD2 4.23Å; L356-L473 HydrophobicContact CG-CG 4.28Å; A469-L473 PolarHBondContact O-N 2.82Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.18Å; L473-T477 PolarHBondContact O-N 3.26Å; L473-T477 PolarHBondContact O-OG1 2.86Å
474L94Very high80.8Confident15 Ų1578.4 Ų78.48%0.07940%0.4CS..Hα-helixtrans-65-46.8175.6-72.4165.8000111.5L356 L366 C370 L373 K470 H471 K476 T477 L478L356-L474 HydrophobicContact CD1-CD2 3.89Å; L356-L474 HydrophobicContact CD1-CG 4.39Å; L366-L474 HydrophobicContact CB-CD2 4.28Å; L366-L474 HydrophobicContact CD2-CD2 3.68Å; L366-L474 HydrophobicContact CG-CD2 4.46Å; C370-L474 HydrophobicContact CB-CB 4.26Å; L373-L474 HydrophobicContact CD1-CD1 3.64Å; K470-L474 WeakPolarHBondContact O-CG 3.32Å; K470-L474 PolarHBondContact O-N 2.87Å; K470-L474 VanDerWaalsContact O-N 3.17Å; H471-L474 PolarHBondContact O-N 3.46Å; H471-L474 VanDerWaalsContact O-N 3.13Å; L474-K476 VanDerWaalsContact C-N 3.27Å; L474-K476 PolarHBondContact O-N 3.4Å; L474-T477 PolarHBondContact O-N 3.44Å; L474-L478 HydrophobicContact CB-CD1 4.44Å; L474-L478 WeakPolarHBondContact O-CB 3.24Å; L474-L478 VanDerWaalsContact O-CG 3.26Å; L474-L478 WeakPolarHBondContact O-CG 3.46Å; L474-L478 PolarHBondContact O-N 2.8Å
475Q92.8Very high77.6Confident99 Ų9985.1 Ų85.146%0.46344%0.436SS..Hα-helixtrans-60.4-37.9179.7-174.662.524.700111.4H471 G479H471-Q475 VanDerWaalsContact O-CB 3.29Å; H471-Q475 WeakPolarHBondContact O-CB 3.34Å; H471-Q475 PolarHBondContact O-N 3.12Å; Q475-G479 WeakPolarHBondContact O-CA 3.4Å; Q475-G479 PolarHBondContact O-N 3.04Å
476K91.4Very high74.3Confident135 Ų13587 Ų8759%0.58745%0.451SS*.Hα-helixtrans-61.8-53.2173.7-175.5176.4178-178.90111.7D472 L474 L478 E480D472-K476 VanDerWaalsContact O-CB 3.32Å; D472-K476 WeakPolarHBondContact O-CB 3.45Å; D472-K476 PolarHBondContact O-N 3.23Å; L474-K476 VanDerWaalsContact C-N 3.27Å; L474-K476 PolarHBondContact O-N 3.4Å; K476-L478 PolarHBondContact O-N 2.75Å; K476-E480 WeakPolarHBondContact O-CG 3.24Å; K476-E480 PolarHBondContact O-N 2.89Å
477T89.8Confident71.1Confident27 Ų2786 Ų8617%0.16646%0.461CS..Hα-helixtrans-66.6-37.7-178.4-54.60000112.8L356 A358 L473 L474 S481L356-T477 HydrophobicContact CB-CG2 4.03Å; A358-T477 HydrophobicContact CB-CG2 3.64Å; L473-T477 PolarHBondContact O-N 3.26Å; L473-T477 PolarHBondContact O-OG1 2.86Å; L474-T477 PolarHBondContact O-N 3.44Å; T477-S481 PolarHBondContact O-N 3.38Å; T477-S481 PolarHBondContact O-OG 2.92Å
478L85.8Confident68.1Low21 Ų2193.3 Ų93.311%0.1150%0.499CS..Hα-helixtrans-78.8-36.7-178.9-65.2171.8000112.5A358 Q363 L366 V367 C370 L474 K476 E480 S481 Q482A358-L478 HydrophobicContact CB-CD2 4.06Å; Q363-L478 HydrophobicContact CG-CD2 4.32Å; L366-L478 HydrophobicContact CB-CD1 4.36Å; L366-L478 HydrophobicContact CB-CD2 4.27Å; V367-L478 HydrophobicContact CG2-CD1 4.03Å; V367-L478 HydrophobicContact CG2-CD2 3.82Å; V367-L478 HydrophobicContact CG2-CG 4.45Å; C370-L478 HydrophobicContact CB-CD1 3.81Å; L474-L478 HydrophobicContact CB-CD1 4.44Å; L474-L478 WeakPolarHBondContact O-CB 3.24Å; L474-L478 VanDerWaalsContact O-CG 3.26Å; L474-L478 WeakPolarHBondContact O-CG 3.46Å; L474-L478 PolarHBondContact O-N 2.8Å; K476-L478 PolarHBondContact O-N 2.75Å; L478-E480 VanDerWaalsContact C-N 3.28Å; L478-E480 PolarHBondContact O-N 2.88Å; L478-S481 WeakPolarHBondContact O-CB 3.42Å; L478-S481 PolarHBondContact O-N 2.93Å; L478-S481 VanDerWaalsContact O-N 3.07Å; L478-Q482 PolarHBondContact O-N 3.21Å
479G65.4Low65Low27 Ų2795.9 Ų95.928%0.27853%0.527SS..Hα-helixtrans-68-24.5175.600000114Q475Q475-G479 WeakPolarHBondContact O-CA 3.4Å; Q475-G479 PolarHBondContact O-N 3.04Å
480E52.2Low61.8Low121 Ų121101.8 Ų101.857%0.56554%0.535SS*.Hα-helixtrans-75.5-28.6169.6-73.1171.4-17200112K476 L478 Q482K476-E480 WeakPolarHBondContact O-CG 3.24Å; K476-E480 PolarHBondContact O-N 2.89Å; L478-E480 VanDerWaalsContact C-N 3.28Å; L478-E480 PolarHBondContact O-N 2.88Å; E480-Q482 VanDerWaalsContact C-N 3.33Å; E480-Q482 PolarHBondContact O-N 2.94Å
481S44.2Very low58.7Low45 Ų45107.7 Ų107.732%0.31555%0.554SS.*THydrogen-bonded Turntrans-77.2-11.9-178.9-58.40000114.7T477 L478T477-S481 PolarHBondContact O-N 3.38Å; T477-S481 PolarHBondContact O-OG 2.92Å; L478-S481 WeakPolarHBondContact O-CB 3.42Å; L478-S481 PolarHBondContact O-N 2.93Å; L478-S481 VanDerWaalsContact O-N 3.07Å
482Q41Very low55.4Low176 Ų176111.5 Ų111.582%0.82258%0.583SS**THydrogen-bonded Turntrans-100.89.8-175.3-137.9173.911.700113.6L478 E480L478-Q482 PolarHBondContact O-N 3.21Å; E480-Q482 VanDerWaalsContact C-N 3.33Å; E480-Q482 PolarHBondContact O-N 2.94Å
483R38.8Very low52.2Low173 Ų173112 Ų11265%0.65359%0.592SS**  trans-110.112.3-172.2-76.1-173.1171.9165.13115.5D485R483-D485 PolarHBondContact O-N 2.79Å
484T35.3Very low49.1Very low121 Ų121112.3 Ų112.374%0.74260%0.598SS**SBendtrans-86.9-0.5-172.1-180000115.2
485D30.7Very low46.3Very low162 Ų162118.4 Ų118.487%0.86664%0.636SS**SBendtrans-13372170.2-85.1-47.5000111.1R483R483-D485 PolarHBondContact O-N 2.79Å
486C27.8Very low43.3Very low125 Ų125123.4 Ų123.485%0.84565%0.651SS**  trans-171.8119.4144.7-115.90000110.9
487S29.5Very low40.4Very low114 Ų114125.5 Ų125.580%0.79766%0.659SS**  trans-68.8148.8177.3-54.90000112.1
488L35.1Very low37.8Very low174 Ų174133.5 Ų133.591%0.91170%0.695SS**SBendtrans6869.1161.6-54173.5000118.2
489A32.8Very low35.1Very low94 Ų94137.7 Ų137.778%0.77772%0.718SS**  -179.4115125.500000112.7
490R28.2Very low34Very low189 Ų189142.7 Ų142.771%0.71375%0.748SS**  trans150.695.6146.2-85.3170.486.2145.36110.2
491R30.6Very low33.6Very low254 Ų254141.7 Ų141.796%0.95875%0.754SS**  trans-79.8122.4144.4-93.8-173.9170.7177.1-2107.6
492S27.9Very low34.4Very low95 Ų95145.6 Ų145.666%0.66477%0.768SS**  trans4.5113.8165.2-158.70000116.9T494S492-T494 PolarHBondContact O-N 2.75Å
493S27.8Very low35.9Very low88 Ų88139.3 Ų139.362%0.61575%0.746SS**  trans-62.391.6150.348.40000108V495S493-V495 PolarHBondContact O-N 3.17Å
494T29.7Very low38.1Very low104 Ų104131.3 Ų131.364%0.63872%0.716SS**  trans-54.4128.7158.140.60000107.4S492 R496S492-T494 PolarHBondContact O-N 2.75Å; T494-R496 PolarHBondContact O-N 3.34Å
495V34.9Very low40.7Very low143 Ų143127 Ų12787%0.86769%0.691SS**  trans-61.397.2159.8174.40000105.2S493 K497S493-V495 PolarHBondContact O-N 3.17Å; V495-K497 VanDerWaalsContact C-N 3.35Å; V495-K497 PolarHBondContact O-N 2.79Å
496R30.2Very low43.4Very low204 Ų204122 Ų12277%0.7766%0.664SS**  trans-64.1105.3164-76.3-173.6177.8172.4-1.9105.3T494 Q498T494-R496 PolarHBondContact O-N 3.34Å; R496-Q498 PolarHBondContact O-N 2.94Å
497K30.7Very low46.4Very low178 Ų178117.1 Ų117.177%0.77463%0.63SS**  trans-43.3138.6141.2-73-179.8169-173.40106.3V495 D499V495-K497 VanDerWaalsContact C-N 3.35Å; V495-K497 PolarHBondContact O-N 2.79Å; K497-D499 VanDerWaalsContact C-N 3.35Å; K497-D499 PolarHBondContact O-N 3.02Å
498Q35.5Very low49.4Very low195 Ų195111.7 Ų111.791%0.91159%0.592SS**  trans-54.6105.3171-78.8170.2-34.600107.8R496 S500R496-Q498 PolarHBondContact O-N 2.94Å; Q498-S500 PolarHBondContact O-N 3.37Å
499D29.2Very low52.1Low110 Ų110107.4 Ų107.459%0.58857%0.567SS**  trans-65.2129.9167.5-73.7-46.4000106K497 S501K497-D499 VanDerWaalsContact C-N 3.35Å; K497-D499 PolarHBondContact O-N 3.02Å; D499-S501 PolarHBondContact O-N 3.17Å; D499-S501 PolarHBondContact O-OG 3.41Å
500S41.3Very low54.8Low132 Ų132103.1 Ų103.192%0.92353%0.531SS*.THydrogen-bonded Turntrans-73.950-177.559.50000111.9Q498Q498-S500 PolarHBondContact O-N 3.37Å
501S45Very low57.9Low99 Ų9994.1 Ų94.169%0.69250%0.497SS*.THydrogen-bonded Turntrans-123.9-2.8-168.254.70000114.3D499D499-S501 PolarHBondContact O-N 3.17Å; D499-S501 PolarHBondContact O-OG 3.41Å
502Q59.7Low61Low127 Ų12782 Ų8259%0.59345%0.452SS*.  trans-83.4121.5159.3-81.1-177.2-43.500108.6I504Q502-I504 VanDerWaalsContact C-N 3.3Å; Q502-I504 PolarHBondContact O-N 3.44Å
503A72.8Confident64Low45 Ų4580.2 Ų80.237%0.37243%0.43SS..SBendtrans-77.3-15.6-176.900000113.7P688A503-P688 HydrophobicContact CB-CG 3.84Å
504I85Confident67Low5 Ų576.1 Ų76.13%0.02640%0.401CS..SBendtrans-129.3136.7168.2-66.2167.5000106.9Q502 V508 E509 I614 Y618 P688Q502-I504 VanDerWaalsContact C-N 3.3Å; Q502-I504 PolarHBondContact O-N 3.44Å; I504-V508 HydrophobicContact CG2-CB 3.9Å; I504-V508 HydrophobicContact CG2-CG1 3.91Å; I504-E509 HydrophobicContact CG2-CB 4.07Å; I504-I614 HydrophobicContact CG1-CG2 4.25Å; I504-Y618 HydrophobicContact CD1-CD1 3.84Å; I504-Y618 HydrophobicContact CD1-CD2 3.26Å; I504-Y618 HydrophobicContact CD1-CE1 4.18Å; I504-Y618 HydrophobicContact CD1-CE2 3.65Å; I504-Y618 HydrophobicContact CD1-CG 3.37Å; I504-Y618 HydrophobicContact CG1-CG 4.46Å; I504-P688 HydrophobicContact CD1-CB 3.72Å; I504-P688 HydrophobicContact CD1-CG 3.39Å; I504-P688 HydrophobicContact CG1-CB 4.48Å; I504-P688 HydrophobicContact CG1-CG 3.63Å
505P90.1Very high70Confident31 Ų3171.1 Ų71.120%0.20137%0.371CS..  trans-63.6138.5174.4-21.833.5000112.2V507 V508 E509 Y568 I615P505-V507 PolarHBondContact O-N 3.02Å; P505-V507 VanDerWaalsContact O-N 3.11Å; P505-V508 HydrophobicContact CB-CG2 4.3Å; P505-V508 HydrophobicContact CG-CG2 4.39Å; P505-V508 WeakPolarHBondContact O-CB 3.34Å; P505-V508 PolarHBondContact O-N 3.36Å; P505-E509 PolarHBondContact O-N 3.18Å; P505-Y568 HydrophobicContact CB-CE1 4.36Å; P505-Y568 VanDerWaalsContact CB-OH 3.28Å; P505-Y568 WeakPolarHBondContact CB-OH 3.42Å; P505-Y568 HydrophobicContact CG-CE1 4.29Å; P505-Y568 WeakPolarHBondContact CG-OH 3.43Å; P505-I615 HydrophobicContact CG-CD1 4.18Å
506L88.1Confident72.6Confident57 Ų5764.9 Ų64.930%0.29833%0.334SS..Hα-helixtrans-52.1-37.4-178-177.662.1000113.8V508 E509 S510 F542 D547L506-V508 PolarHBondContact O-N 2.87Å; L506-E509 PolarHBondContact O-N 3.3Å; L506-S510 WeakPolarHBondContact O-CB 3.19Å; L506-S510 PolarHBondContact O-N 2.98Å; L506-F542 HydrophobicContact CG-CE1 4.38Å; L506-D547 HydrophobicContact CD2-CB 4.26Å
507V91.2Very high75.4Confident22 Ų2261.5 Ų61.513%0.13332%0.321CS..Hα-helixtrans-58.4-47.1175.4-170.60000111.3P505 C511 F542 V564 Y568P505-V507 PolarHBondContact O-N 3.02Å; P505-V507 VanDerWaalsContact O-N 3.11Å; V507-C511 VanDerWaalsContact O-CB 3.23Å; V507-C511 WeakPolarHBondContact O-CB 3.43Å; V507-C511 PolarHBondContact O-N 3.09Å; V507-C511 PolarHBondContact O-SG 3.47Å; V507-F542 HydrophobicContact CB-CG 4.45Å; V507-F542 HydrophobicContact CG1-CD2 4.07Å; V507-F542 HydrophobicContact CG1-CE2 4.27Å; V507-F542 HydrophobicContact CG1-CG 4.39Å; V507-F542 HydrophobicContact CG2-CB 3.75Å; V507-F542 HydrophobicContact CG2-CD1 3.97Å; V507-F542 HydrophobicContact CG2-CD2 4.27Å; V507-F542 HydrophobicContact CG2-CG 3.76Å; V507-V564 HydrophobicContact CG1-CG1 4.09Å; V507-Y568 HydrophobicContact CB-CD2 4.01Å; V507-Y568 HydrophobicContact CB-CE2 4.27Å; V507-Y568 HydrophobicContact CB-CG 4.36Å; V507-Y568 HydrophobicContact CG1-CD2 3.99Å; V507-Y568 HydrophobicContact CG1-CG 4.11Å; V507-Y568 HydrophobicContact CG2-CD2 4.14Å; V507-Y568 HydrophobicContact CG2-CE2 4.19Å
508V92.2Very high78.2Confident0 Ų056.8 Ų56.80%030%0.301CS..Hα-helixtrans-68.2-44.8-179.2178.20000110.2I504 P505 L506 I512 L565 Y568 F569I504-V508 HydrophobicContact CG2-CB 3.9Å; I504-V508 HydrophobicContact CG2-CG1 3.91Å; P505-V508 HydrophobicContact CB-CG2 4.3Å; P505-V508 HydrophobicContact CG-CG2 4.39Å; P505-V508 WeakPolarHBondContact O-CB 3.34Å; P505-V508 PolarHBondContact O-N 3.36Å; L506-V508 PolarHBondContact O-N 2.87Å; V508-I512 HydrophobicContact CG1-CD1 3.71Å; V508-I512 VanDerWaalsContact O-CB 3.23Å; V508-I512 WeakPolarHBondContact O-CB 3.31Å; V508-I512 VanDerWaalsContact O-CG1 3.29Å; V508-I512 WeakPolarHBondContact O-CG1 3.28Å; V508-I512 PolarHBondContact O-N 3.1Å; V508-I512 VanDerWaalsContact O-N 3.07Å; V508-L565 HydrophobicContact CB-CD1 4.49Å; V508-L565 HydrophobicContact CG1-CD1 4.44Å; V508-L565 HydrophobicContact CG2-CD1 4.38Å; V508-Y568 HydrophobicContact CG2-CD1 3.49Å; V508-Y568 VanDerWaalsContact CG2-CD1 3.49Å; V508-Y568 HydrophobicContact CG2-CE1 3.36Å; V508-Y568 HydrophobicContact CG2-CG 4.5Å; V508-F569 HydrophobicContact CG1-CZ 3.99Å; V508-F569 HydrophobicContact CG2-CE1 4.3Å; V508-F569 HydrophobicContact CG2-CE2 4.33Å; V508-F569 HydrophobicContact CG2-CZ 3.78Å
509E91.1Very high80.7Confident84 Ų8447.5 Ų47.539%0.39326%0.258SS..Hα-helixtrans-63.2-50.1179.8-173.9172.6-167.200111.9I504 P505 L506 R513I504-E509 HydrophobicContact CG2-CB 4.07Å; P505-E509 PolarHBondContact O-N 3.18Å; L506-E509 PolarHBondContact O-N 3.3Å; E509-R513 WeakPolarHBondContact O-CB 3.42Å; E509-R513 PolarHBondContact O-N 2.89Å
510S90.8Very high83.6Confident4 Ų443.5 Ų43.53%0.02824%0.236CC..Hα-helixtrans-73.9-38.6-176.8-82.80000113.5L506 R513 F514 D547L506-S510 WeakPolarHBondContact O-CB 3.19Å; L506-S510 PolarHBondContact O-N 2.98Å; S510-R513 PolarHBondContact O-N 3.2Å; S510-R513 PolarHBondContact OG-NH2 3.22Å; S510-F514 WeakPolarHBondContact O-CB 3.48Å; S510-F514 PolarHBondContact O-N 3.4Å; S510-D547 WeakPolarHBondContact CB-OD2 3.32Å; S510-D547 PolarHBondContact OG-OD2 3.22Å
511C92.9Very high85.9Confident0 Ų043 Ų430%022%0.219CC..Hα-helixtrans-63.9-45.7172.7-70.20000111.9V507 F514 I515 I561 L565V507-C511 VanDerWaalsContact O-CB 3.23Å; V507-C511 WeakPolarHBondContact O-CB 3.43Å; V507-C511 PolarHBondContact O-N 3.09Å; V507-C511 PolarHBondContact O-SG 3.47Å; C511-F514 PolarHBondContact O-N 3.1Å; C511-I515 VanDerWaalsContact O-CG1 3.31Å; C511-I515 WeakPolarHBondContact O-CG1 3.22Å; C511-I515 PolarHBondContact O-N 3.04Å; C511-I561 HydrophobicContact CB-CG2 4.19Å; C511-L565 HydrophobicContact CB-CB 4.06Å; C511-L565 HydrophobicContact CB-CD1 4.11Å; C511-L565 HydrophobicContact CB-CD2 4.42Å; C511-L565 HydrophobicContact CB-CG 4.42Å
512I94.3Very high88.1Confident0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-65-42178-72.5176.1000111.1V508 F514 S516 L565 Y618 L619 F622 Y690V508-I512 HydrophobicContact CG1-CD1 3.71Å; V508-I512 VanDerWaalsContact O-CB 3.23Å; V508-I512 WeakPolarHBondContact O-CB 3.31Å; V508-I512 VanDerWaalsContact O-CG1 3.29Å; V508-I512 WeakPolarHBondContact O-CG1 3.28Å; V508-I512 PolarHBondContact O-N 3.1Å; V508-I512 VanDerWaalsContact O-N 3.07Å; I512-F514 VanDerWaalsContact C-N 3.34Å; I512-F514 PolarHBondContact O-N 2.79Å; I512-S516 WeakPolarHBondContact O-CB 3.38Å; I512-S516 PolarHBondContact O-N 3.04Å; I512-L565 HydrophobicContact CD1-CD2 4.42Å; I512-L565 HydrophobicContact CG1-CD1 4.43Å; I512-L565 HydrophobicContact CG1-CD2 3.73Å; I512-Y618 HydrophobicContact CB-CE1 4.05Å; I512-Y618 HydrophobicContact CD1-CD1 3.77Å; I512-Y618 HydrophobicContact CD1-CE1 3.79Å; I512-Y618 HydrophobicContact CG2-CE1 3.73Å; I512-L619 HydrophobicContact CD1-CD1 4.14Å; I512-F622 HydrophobicContact CB-CG 4.47Å; I512-F622 HydrophobicContact CD1-CB 4.38Å; I512-F622 HydrophobicContact CD1-CD1 4.08Å; I512-F622 HydrophobicContact CD1-CG 4.35Å; I512-F622 HydrophobicContact CG1-CD1 3.88Å; I512-F622 HydrophobicContact CG1-CE1 4.2Å; I512-F622 HydrophobicContact CG1-CG 4.19Å; I512-F622 HydrophobicContact CG2-CB 3.86Å; I512-F622 HydrophobicContact CG2-CD1 4.21Å; I512-F622 HydrophobicContact CG2-CD2 3.7Å; I512-F622 HydrophobicContact CG2-CE2 4.31Å; I512-F622 HydrophobicContact CG2-CG 3.63Å; I512-Y690 HydrophobicContact CG2-CD2 3.89Å; I512-Y690 HydrophobicContact CG2-CE2 3.77Å
513R91.1Very high89.7Confident57 Ų5741.8 Ų41.822%0.21520%0.203CC..Hα-helixtrans-57.9-44.9174.7174.1-176.754.2743.6111.9E509 S510 R517 D547 L549E509-R513 WeakPolarHBondContact O-CB 3.42Å; E509-R513 PolarHBondContact O-N 2.89Å; S510-R513 PolarHBondContact O-N 3.2Å; S510-R513 PolarHBondContact OG-NH2 3.22Å; R513-R517 WeakPolarHBondContact O-CG 3.37Å; R513-R517 PolarHBondContact O-N 3.03Å; R513-D547 IonicContact NH2-OD2 3.64Å; R513-L549 PolarHBondContact NH1-O 3.4Å; R513-L549 VanDerWaalsContact NH1-O 3.11Å; R513-L549 PolarHBondContact NH2-O 3.01Å
514F91.1Very high90.5Very high1 Ų140 Ų400%0.00419%0.189CC..Hα-helixtrans-68.8-50.4-177.5-159.9-82.7000111.5S510 C511 I512 S516 R517 H518 L549 N554 M558 I561S510-F514 WeakPolarHBondContact O-CB 3.48Å; S510-F514 PolarHBondContact O-N 3.4Å; C511-F514 PolarHBondContact O-N 3.1Å; I512-F514 VanDerWaalsContact C-N 3.34Å; I512-F514 PolarHBondContact O-N 2.79Å; F514-S516 VanDerWaalsContact C-N 3.28Å; F514-S516 PolarHBondContact O-N 2.76Å; F514-R517 PolarHBondContact O-N 3.35Å; F514-H518 AromaticContact CD1-CD2 3.98Å; F514-H518 HydrophobicContact CE1-CB 4.36Å; F514-H518 AromaticContact CE1-CD2 3.85Å; F514-H518 AromaticContact CZ-CD2 3.91Å; F514-H518 PolarHBondContact O-N 3.2Å; F514-L549 HydrophobicContact CB-CD1 4.29Å; F514-L549 HydrophobicContact CD2-CB 4.16Å; F514-L549 HydrophobicContact CD2-CD2 4.35Å; F514-N554 WeakPolarHBondContact CE1-OD1 3.46Å; F514-N554 WeakPolarHBondContact CZ-OD1 3.41Å; F514-M558 HydrophobicContact CD1-CE 4.41Å; F514-M558 HydrophobicContact CD1-SD 3.85Å; F514-M558 HydrophobicContact CE1-SD 3.59Å; F514-M558 VanDerWaalsContact CE1-SD 3.59Å; F514-I561 HydrophobicContact CD1-CD1 3.41Å; F514-I561 VanDerWaalsContact CD1-CD1 3.41Å; F514-I561 HydrophobicContact CE1-CD1 3.47Å; F514-I561 VanDerWaalsContact CE1-CD1 3.47Å; F514-I561 HydrophobicContact CG-CD1 4.09Å; F514-I561 HydrophobicContact CZ-CD1 4.2Å
515I92.4Very high90.9Very high0 Ų039.8 Ų39.80%019%0.188CC..Hα-helixtrans-62.5-37.5177.7-59.3168.2000110.7C511 R517 G519 L520 I525 F526 M558 I561 A562 L565 F622C511-I515 VanDerWaalsContact O-CG1 3.31Å; C511-I515 WeakPolarHBondContact O-CG1 3.22Å; C511-I515 PolarHBondContact O-N 3.04Å; I515-R517 PolarHBondContact O-N 2.67Å; I515-G519 CarbonylContact O-C 3.54Å; I515-G519 VanDerWaalsContact O-CA 3.25Å; I515-G519 WeakPolarHBondContact O-CA 3.29Å; I515-G519 PolarHBondContact O-N 3.08Å; I515-L520 PolarHBondContact O-N 3.2Å; I515-I525 HydrophobicContact CG2-CG1 4.23Å; I515-F526 HydrophobicContact CD1-CE1 4.08Å; I515-F526 HydrophobicContact CD1-CE2 4.42Å; I515-F526 HydrophobicContact CD1-CZ 3.59Å; I515-M558 HydrophobicContact CG1-CE 4.39Å; I515-I561 HydrophobicContact CD1-CG2 4.1Å; I515-I561 HydrophobicContact CG1-CG2 3.96Å; I515-A562 HydrophobicContact CD1-CB 4.29Å; I515-L565 HydrophobicContact CD1-CD2 4.41Å; I515-F622 HydrophobicContact CB-CE2 4.47Å; I515-F622 HydrophobicContact CB-CZ 4.09Å; I515-F622 HydrophobicContact CG2-CE2 4.25Å; I515-F622 HydrophobicContact CG2-CZ 3.75Å
516S90.9Very high91.1Very high12 Ų1238.3 Ų38.38%0.08418%0.178CC..Hα-helixtrans-66.9-15.3175.2-178.10000114.7I512 F514 L520 Y690I512-S516 WeakPolarHBondContact O-CB 3.38Å; I512-S516 PolarHBondContact O-N 3.04Å; F514-S516 VanDerWaalsContact C-N 3.28Å; F514-S516 PolarHBondContact O-N 2.76Å; S516-L520 WeakPolarHBondContact O-CD1 3.31Å; S516-Y690 WeakPolarHBondContact CB-OH 3.46Å; S516-Y690 PolarHBondContact OG-OH 2.97Å
517R88.9Confident91.3Very high132 Ų13243.8 Ų43.850%0.49820%0.195SC..Hα-helixtrans-101.2-35.9177.5-75.2175.7178.3-164.4-5.5112.9R513 F514 I515 D552R513-R517 WeakPolarHBondContact O-CG 3.37Å; R513-R517 PolarHBondContact O-N 3.03Å; F514-R517 PolarHBondContact O-N 3.35Å; I515-R517 PolarHBondContact O-N 2.67Å; R517-D552 IonicContact CZ-OD1 2.67Å; R517-D552 VanDerWaalsContact NH1-CG 3.31Å; R517-D552 IonicContact NH1-OD1 3.15Å; R517-D552 PolarHBondContact NH1-OD1 3.31Å; R517-D552 IonicContact NH1-OD2 3.7Å; R517-D552 PolarHBondContact NH1-OD2 3.42Å; R517-D552 VanDerWaalsContact NH1-OD2 3.14Å
518H88Confident91.3Very high80 Ų8046 Ų4637%0.3721%0.209SC..Hα-helixtrans-124-9.7-167.7-53.5-61.2000114.1F514 M558F514-H518 AromaticContact CD1-CD2 3.98Å; F514-H518 HydrophobicContact CE1-CB 4.36Å; F514-H518 AromaticContact CE1-CD2 3.85Å; F514-H518 AromaticContact CZ-CD2 3.91Å; F514-H518 PolarHBondContact O-N 3.2Å; H518-M558 HydrophobicContact CB-CE 4.14Å; H518-M558 HydrophobicContact CB-SD 4.29Å
519G87.8Confident91.1Very high0 Ų050.5 Ų50.50%024%0.24CC..  trans-121.94.8-169.300000116.6I515 Q521 H522I515-G519 CarbonylContact O-C 3.54Å; I515-G519 VanDerWaalsContact O-CA 3.25Å; I515-G519 WeakPolarHBondContact O-CA 3.29Å; I515-G519 PolarHBondContact O-N 3.08Å; G519-Q521 PolarHBondContact O-N 2.79Å; G519-H522 PolarHBondContact O-N 2.66Å
520L91.6Very high91Very high25 Ų2546.9 Ų46.913%0.13123%0.225CC..THydrogen-bonded Turntrans-63.8-28.6-179.7-64.9178.2000112.7I515 S516 L626 F629 N633I515-L520 PolarHBondContact O-N 3.2Å; S516-L520 WeakPolarHBondContact O-CD1 3.31Å; L520-L626 HydrophobicContact CD2-CD1 3.82Å; L520-F629 HydrophobicContact CB-CD1 4.37Å; L520-F629 HydrophobicContact CB-CD2 4.08Å; L520-F629 HydrophobicContact CB-CE2 4.29Å; L520-F629 HydrophobicContact CB-CG 4.13Å; L520-F629 HydrophobicContact CD1-CD2 4.37Å; L520-F629 HydrophobicContact CD1-CE2 3.8Å; L520-F629 HydrophobicContact CD1-CZ 3.94Å; L520-F629 HydrophobicContact CD2-CD2 4.38Å; L520-F629 HydrophobicContact CD2-CE2 4.45Å; L520-F629 HydrophobicContact CG-CE2 4.41Å; L520-F629 VanDerWaalsContact O-CB 3.24Å; L520-F629 WeakPolarHBondContact O-CB 3.28Å; L520-N633 WeakPolarHBondContact O-CB 3.45Å; L520-N633 PolarHBondContact O-ND2 3Å
521Q89.8Confident91Very high121 Ų12149.7 Ų49.757%0.56525%0.245SC*.THydrogen-bonded Turntrans-105.96.6-179.7-59.7173.2-51.900112.7G519 E523 F629 E632G519-Q521 PolarHBondContact O-N 2.79Å; Q521-E523 PolarHBondContact O-N 2.8Å; Q521-F629 HydrophobicContact CG-CD1 4.45Å; Q521-E632 HydrophobicContact CB-CB 4.38Å; Q521-E632 HydrophobicContact CG-CB 4.44Å; Q521-E632 VanDerWaalsContact CG-OE2 3.31Å; Q521-E632 WeakPolarHBondContact CG-OE2 3.22Å; Q521-E632 VanDerWaalsContact NE2-CD 3.28Å; Q521-E632 PolarHBondContact NE2-OE1 3.28Å; Q521-E632 PolarHBondContact NE2-OE2 3.37Å
522H91.5Very high90.9Very high60 Ų6055.6 Ų55.628%0.27827%0.272SS..  trans-76.5115.7-177.3-171.3-72.5000110.5G519 G524 I525 D559 N633G519-H522 PolarHBondContact O-N 2.66Å; H522-G524 PolarHBondContact O-N 3.26Å; H522-I525 HydrophobicContact CB-CB 4.25Å; H522-I525 HydrophobicContact CB-CD1 4.41Å; H522-I525 WeakPolarHBondContact O-CB 3.43Å; H522-I525 WeakPolarHBondContact O-CG2 3.44Å; H522-I525 PolarHBondContact O-N 2.94Å; H522-D559 IonicContact CE1-OD1 2.65Å; H522-D559 IonicContact CE1-OD2 2.67Å; H522-D559 PolarHBondContact CE1-OD2 3.14Å; H522-N633 WeakPolarHBondContact O-CB 3.41Å
523E91.9Very high90.7Very high141 Ų14160.5 Ų60.566%0.65930%0.302SS*.THydrogen-bonded Turntrans-56132.6-178.3-166.3-177.6163.400111.3Q521 I525 M634Q521-E523 PolarHBondContact O-N 2.8Å; E523-I525 PolarHBondContact O-N 2.91Å; E523-I525 VanDerWaalsContact O-N 3.15Å; E523-M634 HydrophobicContact CG-CB 4.38Å; E523-M634 HydrophobicContact CG-CG 3.96Å
524G89.9Confident90.7Very high8 Ų859.7 Ų59.78%0.08230%0.301CS..THydrogen-bonded Turntrans65.717.3174.900000115H522 F526 R527 V528 N633H522-G524 PolarHBondContact O-N 3.26Å; G524-F526 PolarHBondContact O-N 3.39Å; G524-R527 WeakPolarHBondContact O-CA 3.2Å; G524-R527 VanDerWaalsContact O-CB 3.29Å; G524-R527 WeakPolarHBondContact O-CB 3.37Å; G524-R527 PolarHBondContact O-N 2.84Å; G524-V528 PolarHBondContact O-N 2.65Å; G524-N633 PolarHBondContact N-O 2.97Å
525I92.6Very high90.8Very high0 Ų059.8 Ų59.80%030%0.302CS..THydrogen-bonded Turntrans-51.7132.5178.4-169.367000111.4I515 H522 E523 R527 M558 A562 L626 N633 M635I515-I525 HydrophobicContact CG2-CG1 4.23Å; H522-I525 HydrophobicContact CB-CB 4.25Å; H522-I525 HydrophobicContact CB-CD1 4.41Å; H522-I525 WeakPolarHBondContact O-CB 3.43Å; H522-I525 WeakPolarHBondContact O-CG2 3.44Å; H522-I525 PolarHBondContact O-N 2.94Å; E523-I525 PolarHBondContact O-N 2.91Å; E523-I525 VanDerWaalsContact O-N 3.15Å; I525-R527 PolarHBondContact O-N 2.67Å; I525-M558 HydrophobicContact CD1-CB 4.29Å; I525-A562 HydrophobicContact CD1-CB 3.75Å; I525-A562 HydrophobicContact CG1-CB 4.33Å; I525-L626 HydrophobicContact CG2-CD1 4.15Å; I525-L626 HydrophobicContact CG2-CD2 4.19Å; I525-N633 HydrophobicContact CG2-CB 4.38Å; I525-M635 HydrophobicContact CG2-CG 4.23Å; I525-M635 WeakPolarHBondContact O-CE 3.48Å; I525-M635 WeakPolarHBondContact O-CG 3.15Å
526F94.6Very high90.7Very high0 Ų063 Ų630%032%0.319CS..THydrogen-bonded Turntrans68.2-15.9-167.5-55.9-76.4000117.4I515 G524 A562 L565 K566 F622 L626 L640 C643 F644I515-F526 HydrophobicContact CD1-CE1 4.08Å; I515-F526 HydrophobicContact CD1-CE2 4.42Å; I515-F526 HydrophobicContact CD1-CZ 3.59Å; G524-F526 PolarHBondContact O-N 3.39Å; F526-A562 HydrophobicContact CD1-CB 3.59Å; F526-A562 HydrophobicContact CE1-CB 3.68Å; F526-A562 HydrophobicContact CG-CB 4.16Å; F526-A562 HydrophobicContact CZ-CB 4.33Å; F526-L565 HydrophobicContact CE1-CB 4.32Å; F526-L565 HydrophobicContact CE1-CD2 3.98Å; F526-L565 HydrophobicContact CZ-CD2 3.95Å; F526-K566 HydrophobicContact CB-CD 4.33Å; F526-K566 HydrophobicContact CD1-CD 4.11Å; F526-K566 HydrophobicContact CD1-CG 3.92Å; F526-K566 PolarHBondContact O-NZ 2.65Å; F526-F622 HydrophobicContact CE2-CE1 4.04Å; F526-F622 HydrophobicContact CE2-CZ 4.17Å; F526-F622 AromaticContact CZ-CE1 3.94Å; F526-F622 HydrophobicContact CZ-CE1 3.94Å; F526-F622 HydrophobicContact CZ-CZ 4.24Å; F526-L626 HydrophobicContact CD2-CD2 3.84Å; F526-L626 HydrophobicContact CE2-CD2 3.56Å; F526-L640 HydrophobicContact CD2-CD2 4.18Å; F526-C643 HydrophobicContact CB-CB 4.21Å; F526-F644 HydrophobicContact CB-CE2 4.17Å; F526-F644 AromaticContact CD1-CE2 3.61Å; F526-F644 HydrophobicContact CD1-CE2 3.61Å; F526-F644 AromaticContact CD1-CZ 3.65Å; F526-F644 HydrophobicContact CD1-CZ 3.65Å; F526-F644 AromaticContact CD2-CE2 3.88Å; F526-F644 HydrophobicContact CD2-CE2 3.88Å; F526-F644 HydrophobicContact CD2-CZ 4.47Å; F526-F644 AromaticContact CE1-CE2 3.88Å; F526-F644 HydrophobicContact CE1-CE2 3.88Å; F526-F644 AromaticContact CE1-CZ 3.53Å; F526-F644 HydrophobicContact CE1-CZ 3.53Å; F526-F644 HydrophobicContact CE2-CE2 4.12Å; F526-F644 HydrophobicContact CE2-CZ 4.36Å; F526-F644 AromaticContact CG-CE2 3.61Å; F526-F644 HydrophobicContact CG-CE2 3.61Å; F526-F644 HydrophobicContact CG-CZ 4.14Å; F526-F644 HydrophobicContact CZ-CE2 4.12Å; F526-F644 AromaticContact CZ-CZ 3.91Å; F526-F644 HydrophobicContact CZ-CZ 3.91Å
527R92.9Very high90.7Very high172 Ų17267 Ų6765%0.64934%0.339SS*.THydrogen-bonded Turntrans-86.4-45.5171.5177.4-178.2173.4-167.8-4.3111.4G524 I525 M635G524-R527 WeakPolarHBondContact O-CA 3.2Å; G524-R527 VanDerWaalsContact O-CB 3.29Å; G524-R527 WeakPolarHBondContact O-CB 3.37Å; G524-R527 PolarHBondContact O-N 2.84Å; I525-R527 PolarHBondContact O-N 2.67Å; R527-M635 HydrophobicContact CB-CE 3.94Å; R527-M635 HydrophobicContact CB-SD 3.76Å
528V90.9Very high90.7Very high70 Ų7060.8 Ų60.842%0.42432%0.316SS..SBendtrans-68.7152.6173.6-176.70000109.5G524 D559G524-V528 PolarHBondContact O-N 2.65Å; V528-D559 HydrophobicContact CB-CB 4.49Å; V528-D559 WeakPolarHBondContact CB-OD2 3.22Å; V528-D559 HydrophobicContact CG1-CB 4.36Å; V528-D559 WeakPolarHBondContact CG1-OD2 3.09Å
529S88.3Confident90.8Very high94 Ų9460 Ų6066%0.65731%0.311SS*.  trans-108.6113.4-177.8-66.70000110.4
530G88.6Confident91Very high8 Ų862.7 Ų62.78%0.08233%0.325CS..  trans-65.3170.3175.900000114.4Q532 D559G530-Q532 PolarHBondContact O-N 2.95Å; G530-Q532 PolarHBondContact O-NE2 3.38Å; G530-D559 VanDerWaalsContact CA-C 3.48Å
531S91.8Very high90.8Very high63 Ų6361.8 Ų61.844%0.44132%0.322SS..  trans-59.1117.3-178.7175.80000111.3V533 E534 V535 S560S531-V533 PolarHBondContact O-N 3.47Å; S531-V533 VanDerWaalsContact O-N 3.14Å; S531-E534 PolarHBondContact O-N 2.96Å; S531-E534 VanDerWaalsContact O-N 3.08Å; S531-V535 VanDerWaalsContact O-CG2 3.3Å; S531-V535 WeakPolarHBondContact O-CG2 3.48Å; S531-V535 PolarHBondContact O-N 3.39Å; S531-S560 PolarHBondContact N-OG 3.09Å; S531-S560 VanDerWaalsContact N-OG 3.13Å
532Q90.6Very high90.8Very high124 Ų12457.1 Ų57.158%0.57930%0.3SS*.Hα-helixtrans-62.4-25.2-177.7-63.7-56.5-66.400113.3G530 N536G530-Q532 PolarHBondContact O-N 2.95Å; G530-Q532 PolarHBondContact O-NE2 3.38Å; Q532-N536 WeakPolarHBondContact O-CB 3.46Å; Q532-N536 PolarHBondContact O-N 2.9Å; Q532-N536 PolarHBondContact O-ND2 3.12Å
533V90.3Very high90.5Very high103 Ų10360.5 Ų60.562%0.62432%0.316SS*.Hα-helixtrans-68.2-51.4173.6-178.90000109.6S531 N536 D537S531-V533 PolarHBondContact O-N 3.47Å; S531-V533 VanDerWaalsContact O-N 3.14Å; V533-N536 PolarHBondContact O-N 3.4Å; V533-D537 PolarHBondContact O-N 2.87Å
534E90.8Very high90.2Very high39 Ų3961 Ų6118%0.18231%0.312CS..Hα-helixtrans-68.7-40.3-177.1-173.4179.2-158.500112.7S531 N536 D537 I538 H556 D557 S560S531-E534 PolarHBondContact O-N 2.96Å; S531-E534 VanDerWaalsContact O-N 3.08Å; E534-N536 PolarHBondContact O-N 2.96Å; E534-D537 PolarHBondContact O-N 3.42Å; E534-D537 VanDerWaalsContact O-N 3.15Å; E534-I538 HydrophobicContact CG-CD1 3.79Å; E534-I538 HydrophobicContact CG-CG1 4.24Å; E534-I538 WeakPolarHBondContact O-CB 3.16Å; E534-I538 WeakPolarHBondContact O-CG1 3.27Å; E534-I538 PolarHBondContact O-N 2.72Å; E534-H556 VanDerWaalsContact OE1-CA 3.28Å; E534-H556 WeakPolarHBondContact OE1-CA 3.36Å; E534-H556 IonicContact OE1-CG 2.67Å; E534-H556 IonicContact OE1-ND1 2.66Å; E534-H556 PolarHBondContact OE1-ND1 3.35Å; E534-D557 PolarHBondContact OE1-N 3.14Å; E534-D557 VanDerWaalsContact OE1-N 3.16Å; E534-D557 VanDerWaalsContact OE2-CB 3.32Å; E534-D557 WeakPolarHBondContact OE2-CB 3.3Å; E534-S560 VanDerWaalsContact OE2-CB 3.28Å; E534-S560 WeakPolarHBondContact OE2-CB 3.49Å; E534-S560 PolarHBondContact OE2-OG 2.96Å
535V92Very high89.8Confident4 Ų463.6 Ų63.62%0.02434%0.338CS..Hα-helixtrans-53.8-44.4171.6170.70000110.7S531 K539 V564 L567S531-V535 VanDerWaalsContact O-CG2 3.3Å; S531-V535 WeakPolarHBondContact O-CG2 3.48Å; S531-V535 PolarHBondContact O-N 3.39Å; V535-K539 WeakPolarHBondContact O-CB 3.38Å; V535-K539 PolarHBondContact O-N 2.95Å; V535-V564 HydrophobicContact CB-CG2 4.33Å; V535-V564 HydrophobicContact CG1-CG2 3.99Å; V535-V564 WeakPolarHBondContact O-CG2 3.12Å; V535-L567 HydrophobicContact CG1-CD2 3.83Å
536N90.5Very high89.4Confident68 Ų6868.3 Ų68.336%0.36436%0.36SS..Hα-helixtrans-71.6-39.2177.6-79.3-59.5000112.2Q532 V533 E534 K539 N540Q532-N536 WeakPolarHBondContact O-CB 3.46Å; Q532-N536 PolarHBondContact O-N 2.9Å; Q532-N536 PolarHBondContact O-ND2 3.12Å; V533-N536 PolarHBondContact O-N 3.4Å; E534-N536 PolarHBondContact O-N 2.96Å; N536-K539 PolarHBondContact O-N 3.06Å; N536-N540 WeakPolarHBondContact O-CB 3.2Å; N536-N540 PolarHBondContact O-N 3.23Å; N536-N540 PolarHBondContact O-ND2 2.83Å
537D90.9Very high89.1Confident94 Ų9470.3 Ų70.350%0.50337%0.371SS..Hα-helixtrans-65.8-43.7178.7-74.6-26.9000112.6V533 E534 N540 A541V533-D537 PolarHBondContact O-N 2.87Å; E534-D537 PolarHBondContact O-N 3.42Å; E534-D537 VanDerWaalsContact O-N 3.15Å; D537-N540 PolarHBondContact O-N 2.87Å; D537-A541 PolarHBondContact O-N 2.81Å
538I90.2Very high88.7Confident3 Ų364.1 Ų64.12%0.01535%0.353CS..Hα-helixtrans-63-46.9174.1-65.8171.2000110.2E534 N540 A541 F542 P548 H556 I561 V564E534-I538 HydrophobicContact CG-CD1 3.79Å; E534-I538 HydrophobicContact CG-CG1 4.24Å; E534-I538 WeakPolarHBondContact O-CB 3.16Å; E534-I538 WeakPolarHBondContact O-CG1 3.27Å; E534-I538 PolarHBondContact O-N 2.72Å; I538-N540 VanDerWaalsContact C-N 3.35Å; I538-N540 PolarHBondContact O-N 2.87Å; I538-A541 WeakPolarHBondContact O-CB 3.38Å; I538-A541 PolarHBondContact O-N 3.31Å; I538-F542 HydrophobicContact CG2-CD2 3.98Å; I538-F542 HydrophobicContact CG2-CE2 3.72Å; I538-F542 VanDerWaalsContact O-CD2 3.32Å; I538-F542 WeakPolarHBondContact O-CD2 3.49Å; I538-F542 PolarHBondContact O-N 2.96Å; I538-F542 VanDerWaalsContact O-N 3.13Å; I538-P548 HydrophobicContact CG2-CG 3.84Å; I538-H556 HydrophobicContact CD1-CB 4.4Å; I538-I561 HydrophobicContact CD1-CG1 4.26Å; I538-V564 HydrophobicContact CB-CG2 3.9Å; I538-V564 HydrophobicContact CG2-CB 4.43Å; I538-V564 HydrophobicContact CG2-CG1 4.18Å; I538-V564 HydrophobicContact CG2-CG2 3.78Å
539K89.9Confident88.4Confident63 Ų6360.9 Ų60.927%0.27433%0.333SS..Hα-helixtrans-56.4-47.7174.3172.9-179170.8-67.70111.6V535 N536 A541 F542 E543 L567V535-K539 WeakPolarHBondContact O-CB 3.38Å; V535-K539 PolarHBondContact O-N 2.95Å; N536-K539 PolarHBondContact O-N 3.06Å; K539-A541 VanDerWaalsContact C-N 3.28Å; K539-A541 PolarHBondContact O-N 2.9Å; K539-F542 PolarHBondContact O-N 2.92Å; K539-E543 VanDerWaalsContact CE-OE1 3.24Å; K539-E543 WeakPolarHBondContact CE-OE1 3.4Å; K539-E543 VanDerWaalsContact NZ-CD 3.29Å; K539-E543 IonicContact NZ-OE1 2.69Å; K539-E543 PolarHBondContact NZ-OE1 2.9Å; K539-E543 IonicContact NZ-OE2 2.68Å; K539-E543 PolarHBondContact NZ-OE2 3Å; K539-E543 PolarHBondContact O-N 2.83Å; K539-L567 HydrophobicContact CD-CD2 3.82Å; K539-L567 HydrophobicContact CD-CG 4.47Å
540N90.6Very high87.9Confident56 Ų5659.8 Ų59.830%0.29933%0.33SS..Hα-helixtrans-66.2-29.6-179.4-69.2-25.8000112N536 D537 I538 R544N536-N540 WeakPolarHBondContact O-CB 3.2Å; N536-N540 PolarHBondContact O-N 3.23Å; N536-N540 PolarHBondContact O-ND2 2.83Å; D537-N540 PolarHBondContact O-N 2.87Å; I538-N540 VanDerWaalsContact C-N 3.35Å; I538-N540 PolarHBondContact O-N 2.87Å; N540-R544 VanDerWaalsContact C-NH1 3.32Å; N540-R544 WeakPolarHBondContact O-CG 2.99Å; N540-R544 PolarHBondContact O-N 2.92Å; N540-R544 VanDerWaalsContact O-N 3.14Å; N540-R544 PolarHBondContact O-NH1 2.79Å; N540-R544 VanDerWaalsContact O-NH1 3.15Å
541A87.7Confident87.1Confident7 Ų761.3 Ų61.36%0.05835%0.345CS..Hα-helixtrans-66.5-48.2172.200000111.7D537 I538 K539 E543 R544 G545 E546 P548D537-A541 PolarHBondContact O-N 2.81Å; I538-A541 WeakPolarHBondContact O-CB 3.38Å; I538-A541 PolarHBondContact O-N 3.31Å; K539-A541 VanDerWaalsContact C-N 3.28Å; K539-A541 PolarHBondContact O-N 2.9Å; A541-E543 VanDerWaalsContact C-N 3.3Å; A541-E543 PolarHBondContact O-N 2.85Å; A541-R544 VanDerWaalsContact CA-NH2 3.34Å; A541-R544 WeakPolarHBondContact O-CB 3.39Å; A541-R544 PolarHBondContact O-N 3.12Å; A541-G545 PolarHBondContact O-N 3.09Å; A541-E546 CarbonylContact C-O 3.58Å; A541-E546 HydrophobicContact CB-CB 4.39Å; A541-E546 WeakPolarHBondContact O-CB 3.4Å; A541-E546 PolarHBondContact O-N 2.88Å; A541-P548 HydrophobicContact CB-CB 4.27Å; A541-P548 HydrophobicContact CB-CG 3.96Å
542F89.4Confident85.7Confident23 Ų2363.2 Ų63.210%0.10135%0.35CS..Hα-helixtrans-59.3-38.7173.5-76.8-62000112.8L506 V507 I538 K539 R544 G545 E546 D547 P548 L549 V564L506-F542 HydrophobicContact CG-CE1 4.38Å; V507-F542 HydrophobicContact CB-CG 4.45Å; V507-F542 HydrophobicContact CG1-CD2 4.07Å; V507-F542 HydrophobicContact CG1-CE2 4.27Å; V507-F542 HydrophobicContact CG1-CG 4.39Å; V507-F542 HydrophobicContact CG2-CB 3.75Å; V507-F542 HydrophobicContact CG2-CD1 3.97Å; V507-F542 HydrophobicContact CG2-CD2 4.27Å; V507-F542 HydrophobicContact CG2-CG 3.76Å; I538-F542 HydrophobicContact CG2-CD2 3.98Å; I538-F542 HydrophobicContact CG2-CE2 3.72Å; I538-F542 VanDerWaalsContact O-CD2 3.32Å; I538-F542 WeakPolarHBondContact O-CD2 3.49Å; I538-F542 PolarHBondContact O-N 2.96Å; I538-F542 VanDerWaalsContact O-N 3.13Å; K539-F542 PolarHBondContact O-N 2.92Å; F542-R544 VanDerWaalsContact C-N 3.3Å; F542-R544 PolarHBondContact O-N 2.77Å; F542-G545 PolarHBondContact O-N 2.76Å; F542-E546 WeakPolarHBondContact CA-O 3.48Å; F542-E546 WeakPolarHBondContact CD1-O 3.49Å; F542-D547 HydrophobicContact CE1-CB 4.26Å; F542-D547 WeakPolarHBondContact CE1-OD1 3.34Å; F542-P548 HydrophobicContact CD2-CG 4.18Å; F542-P548 HydrophobicContact CE2-CG 3.85Å; F542-P548 HydrophobicContact CZ-CG 4.06Å; F542-L549 HydrophobicContact CE2-CD1 4.43Å; F542-L549 HydrophobicContact CZ-CD1 4.22Å; F542-L549 HydrophobicContact CZ-CG 4.28Å; F542-V564 HydrophobicContact CD2-CG1 4.48Å
543E86.7Confident84.4Confident130 Ų13063.7 Ų63.761%0.60735%0.353SS*.Hα-helixtrans-66.7-26.6175-74.1179.4177.400113.6K539 A541 G545K539-E543 VanDerWaalsContact CE-OE1 3.24Å; K539-E543 WeakPolarHBondContact CE-OE1 3.4Å; K539-E543 VanDerWaalsContact NZ-CD 3.29Å; K539-E543 IonicContact NZ-OE1 2.69Å; K539-E543 PolarHBondContact NZ-OE1 2.9Å; K539-E543 IonicContact NZ-OE2 2.68Å; K539-E543 PolarHBondContact NZ-OE2 3Å; K539-E543 PolarHBondContact O-N 2.83Å; A541-E543 VanDerWaalsContact C-N 3.3Å; A541-E543 PolarHBondContact O-N 2.85Å; E543-G545 PolarHBondContact O-N 2.87Å
544R85.4Confident83.2Confident153 Ų15363.6 Ų63.658%0.57735%0.349SS*.THydrogen-bonded Turntrans-77.3-7.6169.8-69.4-176.6-52.6-95.77.4113.4N540 A541 F542 E546N540-R544 VanDerWaalsContact C-NH1 3.32Å; N540-R544 WeakPolarHBondContact O-CG 2.99Å; N540-R544 PolarHBondContact O-N 2.92Å; N540-R544 VanDerWaalsContact O-N 3.14Å; N540-R544 PolarHBondContact O-NH1 2.79Å; N540-R544 VanDerWaalsContact O-NH1 3.15Å; A541-R544 VanDerWaalsContact CA-NH2 3.34Å; A541-R544 WeakPolarHBondContact O-CB 3.39Å; A541-R544 PolarHBondContact O-N 3.12Å; F542-R544 VanDerWaalsContact C-N 3.3Å; F542-R544 PolarHBondContact O-N 2.77Å; R544-E546 HydrophobicContact CB-CG 4.32Å; R544-E546 IonicContact CZ-OE2 3.57Å; R544-E546 VanDerWaalsContact CZ-OE2 3.23Å; R544-E546 IonicContact NE-OE1 2.68Å; R544-E546 IonicContact NE-OE2 3.08Å; R544-E546 PolarHBondContact NE-OE2 3.24Å; R544-E546 IonicContact NH2-OE2 2.69Å; R544-E546 PolarHBondContact NH2-OE2 3.01Å
545G80.9Confident82.3Confident62 Ų6267.3 Ų67.364%0.63937%0.37SS*.THydrogen-bonded Turntrans8218.8-174.600000114A541 F542 E543A541-G545 PolarHBondContact O-N 3.09Å; F542-G545 PolarHBondContact O-N 2.76Å; E543-G545 PolarHBondContact O-N 2.87Å
546E85.3Confident81.8Confident99 Ų9969.8 Ų69.846%0.46338%0.381SS..  trans-93.8144.6172.8-60.4166.9158.800108.7A541 F542 R544 P548A541-E546 CarbonylContact C-O 3.58Å; A541-E546 HydrophobicContact CB-CB 4.39Å; A541-E546 WeakPolarHBondContact O-CB 3.4Å; A541-E546 PolarHBondContact O-N 2.88Å; F542-E546 WeakPolarHBondContact CA-O 3.48Å; F542-E546 WeakPolarHBondContact CD1-O 3.49Å; R544-E546 HydrophobicContact CB-CG 4.32Å; R544-E546 IonicContact CZ-OE2 3.57Å; R544-E546 VanDerWaalsContact CZ-OE2 3.23Å; R544-E546 IonicContact NE-OE1 2.68Å; R544-E546 IonicContact NE-OE2 3.08Å; R544-E546 PolarHBondContact NE-OE2 3.24Å; R544-E546 IonicContact NH2-OE2 2.69Å; R544-E546 PolarHBondContact NH2-OE2 3.01Å; E546-P548 WeakPolarHBondContact O-CD 3.47Å
547D86.4Confident81.7Confident42 Ų4269.6 Ų69.623%0.22538%0.38CS..  trans-105.197.7169.8-176-3.4000109.1L506 S510 R513 F542 L549 A550L506-D547 HydrophobicContact CD2-CB 4.26Å; S510-D547 WeakPolarHBondContact CB-OD2 3.32Å; S510-D547 PolarHBondContact OG-OD2 3.22Å; R513-D547 IonicContact NH2-OD2 3.64Å; F542-D547 HydrophobicContact CE1-CB 4.26Å; F542-D547 WeakPolarHBondContact CE1-OD1 3.34Å; D547-L549 PolarHBondContact O-N 3.15Å; D547-L549 WeakPolarHBondContact OD1-CA 3.49Å; D547-L549 PolarHBondContact OD1-N 2.67Å; D547-A550 HydrophobicContact CB-CB 4Å; D547-A550 WeakPolarHBondContact O-CB 3.22Å; D547-A550 PolarHBondContact O-N 3.01Å; D547-A550 PolarHBondContact OD1-N 3.2Å
548P85.2Confident81.8Confident42 Ų4265.7 Ų65.727%0.27336%0.359SS..THydrogen-bonded Turntrans-65-19.7178.827.4-35.1000112.8I538 A541 F542 E546I538-P548 HydrophobicContact CG2-CG 3.84Å; A541-P548 HydrophobicContact CB-CB 4.27Å; A541-P548 HydrophobicContact CB-CG 3.96Å; F542-P548 HydrophobicContact CD2-CG 4.18Å; F542-P548 HydrophobicContact CE2-CG 3.85Å; F542-P548 HydrophobicContact CZ-CG 4.06Å; E546-P548 WeakPolarHBondContact O-CD 3.47Å
549L85.4Confident81.9Confident2 Ų266.2 Ų66.21%0.0136%0.362CS..THydrogen-bonded Turntrans-9911-177.2-54-179.3000112.7R513 F514 F542 D547 G551 I561R513-L549 PolarHBondContact NH1-O 3.4Å; R513-L549 VanDerWaalsContact NH1-O 3.11Å; R513-L549 PolarHBondContact NH2-O 3.01Å; F514-L549 HydrophobicContact CB-CD1 4.29Å; F514-L549 HydrophobicContact CD2-CB 4.16Å; F514-L549 HydrophobicContact CD2-CD2 4.35Å; F542-L549 HydrophobicContact CE2-CD1 4.43Å; F542-L549 HydrophobicContact CZ-CD1 4.22Å; F542-L549 HydrophobicContact CZ-CG 4.28Å; D547-L549 PolarHBondContact O-N 3.15Å; D547-L549 WeakPolarHBondContact OD1-CA 3.49Å; D547-L549 PolarHBondContact OD1-N 2.67Å; L549-G551 VanDerWaalsContact C-N 3.26Å; L549-G551 PolarHBondContact O-N 2.96Å; L549-I561 HydrophobicContact CD1-CD1 4.39Å; L549-I561 HydrophobicContact CD1-CG1 4.35Å; L549-I561 HydrophobicContact CD1-CG2 3.82Å; L549-I561 HydrophobicContact CD2-CD1 3.68Å; L549-I561 HydrophobicContact CD2-CG1 4.02Å
550A78.3Confident82.1Confident70 Ų7063.2 Ų63.258%0.57935%0.349SS*.SBendtrans-69.2-19-176.500000114.4D547D547-A550 HydrophobicContact CB-CB 4Å; D547-A550 WeakPolarHBondContact O-CB 3.22Å; D547-A550 PolarHBondContact O-N 3.01Å; D547-A550 PolarHBondContact OD1-N 3.2Å
551G71Confident82.2Confident40 Ų4060.5 Ų60.541%0.41233%0.334SS..SBendtrans-97.3151.9172.300000112.3L549 Q553L549-G551 VanDerWaalsContact C-N 3.26Å; L549-G551 PolarHBondContact O-N 2.96Å; G551-Q553 PolarHBondContact O-N 3.41Å
552D62.4Low82.5Confident103 Ų10360.2 Ų60.255%0.55133%0.332SS*.SBendtrans-8230.7170-73.5-33.6000111.8R517R517-D552 IonicContact CZ-OD1 2.67Å; R517-D552 VanDerWaalsContact NH1-CG 3.31Å; R517-D552 IonicContact NH1-OD1 3.15Å; R517-D552 PolarHBondContact NH1-OD1 3.31Å; R517-D552 IonicContact NH1-OD2 3.7Å; R517-D552 PolarHBondContact NH1-OD2 3.42Å; R517-D552 VanDerWaalsContact NH1-OD2 3.14Å
553Q63.8Low82.7Confident135 Ų13559.8 Ų59.863%0.63133%0.334SS*.  trans-89.8127.4171.5-61.1-161139.700109.4G551 D555G551-Q553 PolarHBondContact O-N 3.41Å; Q553-D555 VanDerWaalsContact CB-OD2 3.26Å; Q553-D555 WeakPolarHBondContact CB-OD2 3.34Å; Q553-D555 PolarHBondContact NE2-OD2 3.25Å; Q553-D555 PolarHBondContact O-N 2.83Å
554N64.3Low83Confident101 Ų10153.8 Ų53.854%0.5431%0.306SS..  trans-85.948.8-177-143.736.1000111.2F514 H556F514-N554 WeakPolarHBondContact CE1-OD1 3.46Å; F514-N554 WeakPolarHBondContact CZ-OD1 3.41Å; N554-H556 VanDerWaalsContact C-N 3.29Å
555D71.9Confident83.4Confident116 Ų11646.5 Ų46.562%0.6228%0.279SS*.  trans-83.4-4.5-174.2-62.5-30.3000112.9Q553Q553-D555 VanDerWaalsContact CB-OD2 3.26Å; Q553-D555 WeakPolarHBondContact CB-OD2 3.34Å; Q553-D555 PolarHBondContact NE2-OD2 3.25Å; Q553-D555 PolarHBondContact O-N 2.83Å
556H82.4Confident84.1Confident57 Ų5745.3 Ų45.326%0.26426%0.256SS..SBendtrans-119.8144.3-174-75.3-54.2000112.1E534 I538 N554 I561E534-H556 VanDerWaalsContact OE1-CA 3.28Å; E534-H556 WeakPolarHBondContact OE1-CA 3.36Å; E534-H556 IonicContact OE1-CG 2.67Å; E534-H556 IonicContact OE1-ND1 2.66Å; E534-H556 PolarHBondContact OE1-ND1 3.35Å; I538-H556 HydrophobicContact CD1-CB 4.4Å; N554-H556 VanDerWaalsContact C-N 3.29Å; H556-I561 HydrophobicContact CB-CD1 3.92Å; H556-I561 HydrophobicContact CB-CG1 4.27Å
557D88.1Confident84.4Confident64 Ų6443.5 Ų43.534%0.34225%0.249SC..  trans-68.3139.7175.1174.860000112.2E534 D559 S560 I561E534-D557 PolarHBondContact OE1-N 3.14Å; E534-D557 VanDerWaalsContact OE1-N 3.16Å; E534-D557 VanDerWaalsContact OE2-CB 3.32Å; E534-D557 WeakPolarHBondContact OE2-CB 3.3Å; D557-D559 WeakPolarHBondContact OD2-CA 3.33Å; D557-D559 WeakPolarHBondContact OD2-CB 3.43Å; D557-D559 PolarHBondContact OD2-N 3.47Å; D557-D559 VanDerWaalsContact OD2-N 3.15Å; D557-S560 WeakPolarHBondContact O-CB 3.48Å; D557-S560 PolarHBondContact O-N 3.43Å; D557-S560 PolarHBondContact OD2-N 3.37Å; D557-S560 PolarHBondContact OD2-OG 3.35Å; D557-I561 WeakPolarHBondContact O-CG1 3.44Å; D557-I561 PolarHBondContact O-N 3.28Å
558M91.5Very high84.6Confident11 Ų1144.8 Ų44.85%0.05425%0.251CS..Hα-helixtrans-73.1-35.2-174.8-70.8-62.8-68.500112.3F514 I515 H518 I525 S560 I561 A562F514-M558 HydrophobicContact CD1-CE 4.41Å; F514-M558 HydrophobicContact CD1-SD 3.85Å; F514-M558 HydrophobicContact CE1-SD 3.59Å; F514-M558 VanDerWaalsContact CE1-SD 3.59Å; I515-M558 HydrophobicContact CG1-CE 4.39Å; H518-M558 HydrophobicContact CB-CE 4.14Å; H518-M558 HydrophobicContact CB-SD 4.29Å; I525-M558 HydrophobicContact CD1-CB 4.29Å; M558-S560 VanDerWaalsContact C-N 3.33Å; M558-I561 PolarHBondContact O-N 3.18Å; M558-I561 HydrophobicContact SD-CD1 4.35Å; M558-A562 WeakPolarHBondContact O-CB 3.22Å; M558-A562 PolarHBondContact O-N 2.87Å
559D93.2Very high84.9Confident14 Ų1443 Ų438%0.07524%0.239CC..Hα-helixtrans-73.1-28.4174.6-69.5-45000111.7H522 V528 G530 D557 G563H522-D559 IonicContact CE1-OD1 2.65Å; H522-D559 IonicContact CE1-OD2 2.67Å; H522-D559 PolarHBondContact CE1-OD2 3.14Å; V528-D559 HydrophobicContact CB-CB 4.49Å; V528-D559 WeakPolarHBondContact CB-OD2 3.22Å; V528-D559 HydrophobicContact CG1-CB 4.36Å; V528-D559 WeakPolarHBondContact CG1-OD2 3.09Å; G530-D559 VanDerWaalsContact CA-C 3.48Å; D557-D559 WeakPolarHBondContact OD2-CA 3.33Å; D557-D559 WeakPolarHBondContact OD2-CB 3.43Å; D557-D559 PolarHBondContact OD2-N 3.47Å; D557-D559 VanDerWaalsContact OD2-N 3.15Å; D559-G563 PolarHBondContact O-N 3.28Å
560S93.5Very high85.2Confident0 Ų052 Ų520%027%0.273CS..Hα-helixtrans-62.7-48167.6-70.80000111.2S531 E534 D557 M558 G563 V564S531-S560 PolarHBondContact N-OG 3.09Å; S531-S560 VanDerWaalsContact N-OG 3.13Å; E534-S560 VanDerWaalsContact OE2-CB 3.28Å; E534-S560 WeakPolarHBondContact OE2-CB 3.49Å; E534-S560 PolarHBondContact OE2-OG 2.96Å; D557-S560 WeakPolarHBondContact O-CB 3.48Å; D557-S560 PolarHBondContact O-N 3.43Å; D557-S560 PolarHBondContact OD2-N 3.37Å; D557-S560 PolarHBondContact OD2-OG 3.35Å; M558-S560 VanDerWaalsContact C-N 3.33Å; S560-G563 WeakPolarHBondContact O-CA 3.48Å; S560-G563 PolarHBondContact O-N 3.47Å; S560-V564 WeakPolarHBondContact O-CG2 3.33Å; S560-V564 PolarHBondContact O-N 3.08Å
561I93.1Very high85.5Confident0 Ų051.6 Ų51.60%028%0.276CS..Hα-helixtrans-64.2-42.7177.3-63.2170.2000111.3C511 F514 I515 I538 L549 H556 D557 M558 G563 V564 L565C511-I561 HydrophobicContact CB-CG2 4.19Å; F514-I561 HydrophobicContact CD1-CD1 3.41Å; F514-I561 VanDerWaalsContact CD1-CD1 3.41Å; F514-I561 HydrophobicContact CE1-CD1 3.47Å; F514-I561 VanDerWaalsContact CE1-CD1 3.47Å; F514-I561 HydrophobicContact CG-CD1 4.09Å; F514-I561 HydrophobicContact CZ-CD1 4.2Å; I515-I561 HydrophobicContact CD1-CG2 4.1Å; I515-I561 HydrophobicContact CG1-CG2 3.96Å; I538-I561 HydrophobicContact CD1-CG1 4.26Å; L549-I561 HydrophobicContact CD1-CD1 4.39Å; L549-I561 HydrophobicContact CD1-CG1 4.35Å; L549-I561 HydrophobicContact CD1-CG2 3.82Å; L549-I561 HydrophobicContact CD2-CD1 3.68Å; L549-I561 HydrophobicContact CD2-CG1 4.02Å; H556-I561 HydrophobicContact CB-CD1 3.92Å; H556-I561 HydrophobicContact CB-CG1 4.27Å; D557-I561 WeakPolarHBondContact O-CG1 3.44Å; D557-I561 PolarHBondContact O-N 3.28Å; M558-I561 PolarHBondContact O-N 3.18Å; M558-I561 HydrophobicContact SD-CD1 4.35Å; I561-G563 VanDerWaalsContact C-N 3.29Å; I561-G563 PolarHBondContact O-N 3.03Å; I561-V564 PolarHBondContact O-N 3.1Å; I561-L565 PolarHBondContact O-N 3.39Å
562A93.8Very high86.1Confident0 Ų051.9 Ų51.90%027%0.268CS..Hα-helixtrans-62.5-36.7174.200000112.3I515 I525 F526 M558 L565 K566I515-A562 HydrophobicContact CD1-CB 4.29Å; I525-A562 HydrophobicContact CD1-CB 3.75Å; I525-A562 HydrophobicContact CG1-CB 4.33Å; F526-A562 HydrophobicContact CD1-CB 3.59Å; F526-A562 HydrophobicContact CE1-CB 3.68Å; F526-A562 HydrophobicContact CG-CB 4.16Å; F526-A562 HydrophobicContact CZ-CB 4.33Å; M558-A562 WeakPolarHBondContact O-CB 3.22Å; M558-A562 PolarHBondContact O-N 2.87Å; A562-L565 PolarHBondContact O-N 2.98Å; A562-K566 PolarHBondContact O-N 2.96Å
563G93.6Very high86.9Confident15 Ų1555.4 Ų55.416%0.15528%0.281CS..Hα-helixtrans-60.4-47.2172.300000112.7D559 S560 I561 L565 K566 L567D559-G563 PolarHBondContact O-N 3.28Å; S560-G563 WeakPolarHBondContact O-CA 3.48Å; S560-G563 PolarHBondContact O-N 3.47Å; I561-G563 VanDerWaalsContact C-N 3.29Å; I561-G563 PolarHBondContact O-N 3.03Å; G563-L565 VanDerWaalsContact C-N 3.35Å; G563-L565 PolarHBondContact O-N 3.22Å; G563-K566 PolarHBondContact O-N 2.78Å; G563-L567 VanDerWaalsContact O-CB 3.26Å; G563-L567 WeakPolarHBondContact O-CB 3.34Å; G563-L567 PolarHBondContact O-N 3.17Å
564V94.4Very high87.6Confident4 Ų456 Ų562%0.02428%0.283CS..Hα-helixtrans-59.5-43.5177173.30000111.6V507 V535 I538 F542 S560 I561 L567 Y568V507-V564 HydrophobicContact CG1-CG1 4.09Å; V535-V564 HydrophobicContact CB-CG2 4.33Å; V535-V564 HydrophobicContact CG1-CG2 3.99Å; V535-V564 WeakPolarHBondContact O-CG2 3.12Å; I538-V564 HydrophobicContact CB-CG2 3.9Å; I538-V564 HydrophobicContact CG2-CB 4.43Å; I538-V564 HydrophobicContact CG2-CG1 4.18Å; I538-V564 HydrophobicContact CG2-CG2 3.78Å; F542-V564 HydrophobicContact CD2-CG1 4.48Å; S560-V564 WeakPolarHBondContact O-CG2 3.33Å; S560-V564 PolarHBondContact O-N 3.08Å; I561-V564 PolarHBondContact O-N 3.1Å; V564-L567 PolarHBondContact O-N 3.18Å; V564-Y568 WeakPolarHBondContact O-CB 3.37Å; V564-Y568 PolarHBondContact O-N 3.14Å
565L94.1Very high88.6Confident0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-64.6-43.5179.4-174.661.2000112.2V508 C511 I512 I515 F526 I561 A562 G563 F569 F622V508-L565 HydrophobicContact CB-CD1 4.49Å; V508-L565 HydrophobicContact CG1-CD1 4.44Å; V508-L565 HydrophobicContact CG2-CD1 4.38Å; C511-L565 HydrophobicContact CB-CB 4.06Å; C511-L565 HydrophobicContact CB-CD1 4.11Å; C511-L565 HydrophobicContact CB-CD2 4.42Å; C511-L565 HydrophobicContact CB-CG 4.42Å; I512-L565 HydrophobicContact CD1-CD2 4.42Å; I512-L565 HydrophobicContact CG1-CD1 4.43Å; I512-L565 HydrophobicContact CG1-CD2 3.73Å; I515-L565 HydrophobicContact CD1-CD2 4.41Å; F526-L565 HydrophobicContact CE1-CB 4.32Å; F526-L565 HydrophobicContact CE1-CD2 3.98Å; F526-L565 HydrophobicContact CZ-CD2 3.95Å; I561-L565 PolarHBondContact O-N 3.39Å; A562-L565 PolarHBondContact O-N 2.98Å; G563-L565 VanDerWaalsContact C-N 3.35Å; G563-L565 PolarHBondContact O-N 3.22Å; L565-F569 HydrophobicContact CD1-CD2 4.32Å; L565-F569 HydrophobicContact CD1-CE2 3.68Å; L565-F569 HydrophobicContact CG-CE2 4.14Å; L565-F569 VanDerWaalsContact O-CD2 3.24Å; L565-F569 WeakPolarHBondContact O-CD2 3.48Å; L565-F569 PolarHBondContact O-N 2.67Å; L565-F622 HydrophobicContact CD2-CE1 4.49Å
566K93.9Very high89.3Confident36 Ų3648.7 Ų48.716%0.15725%0.248CC..Hα-helixtrans-62.6-45.5173.6-72-176.5-64.31780111.6F526 A562 G563 Y568 F569 R570 F644F526-K566 HydrophobicContact CB-CD 4.33Å; F526-K566 HydrophobicContact CD1-CD 4.11Å; F526-K566 HydrophobicContact CD1-CG 3.92Å; F526-K566 PolarHBondContact O-NZ 2.65Å; A562-K566 PolarHBondContact O-N 2.96Å; G563-K566 PolarHBondContact O-N 2.78Å; K566-Y568 VanDerWaalsContact C-N 3.31Å; K566-Y568 PolarHBondContact O-N 2.83Å; K566-F569 PolarHBondContact O-N 3.34Å; K566-R570 WeakPolarHBondContact O-CB 3.45Å; K566-R570 PolarHBondContact O-N 2.86Å; K566-F644 HydrophobicContact CG-CE1 4.28Å; K566-F644 HydrophobicContact CG-CZ 4.23Å
567L91.3Very high89.7Confident62 Ų6246.2 Ų46.233%0.32524%0.236SC..Hα-helixtrans-63.7-36.6-178.8-176.959.3000111.9V535 K539 G563 V564 R570 G571V535-L567 HydrophobicContact CG1-CD2 3.83Å; K539-L567 HydrophobicContact CD-CD2 3.82Å; K539-L567 HydrophobicContact CD-CG 4.47Å; G563-L567 VanDerWaalsContact O-CB 3.26Å; G563-L567 WeakPolarHBondContact O-CB 3.34Å; G563-L567 PolarHBondContact O-N 3.17Å; V564-L567 PolarHBondContact O-N 3.18Å; L567-R570 PolarHBondContact O-N 3.07Å; L567-G571 PolarHBondContact O-N 3.23Å
568Y92.1Very high89.6Confident68 Ų6845 Ų4527%0.26723%0.232SC..Hα-helixtrans-58.3-51.5174.6179.3-97.9000111.7P505 V507 V508 V564 K566 G571 L572P505-Y568 HydrophobicContact CB-CE1 4.36Å; P505-Y568 VanDerWaalsContact CB-OH 3.28Å; P505-Y568 WeakPolarHBondContact CB-OH 3.42Å; P505-Y568 HydrophobicContact CG-CE1 4.29Å; P505-Y568 WeakPolarHBondContact CG-OH 3.43Å; V507-Y568 HydrophobicContact CB-CD2 4.01Å; V507-Y568 HydrophobicContact CB-CE2 4.27Å; V507-Y568 HydrophobicContact CB-CG 4.36Å; V507-Y568 HydrophobicContact CG1-CD2 3.99Å; V507-Y568 HydrophobicContact CG1-CG 4.11Å; V507-Y568 HydrophobicContact CG2-CD2 4.14Å; V507-Y568 HydrophobicContact CG2-CE2 4.19Å; V508-Y568 HydrophobicContact CG2-CD1 3.49Å; V508-Y568 VanDerWaalsContact CG2-CD1 3.49Å; V508-Y568 HydrophobicContact CG2-CE1 3.36Å; V508-Y568 HydrophobicContact CG2-CG 4.5Å; V564-Y568 WeakPolarHBondContact O-CB 3.37Å; V564-Y568 PolarHBondContact O-N 3.14Å; K566-Y568 VanDerWaalsContact C-N 3.31Å; K566-Y568 PolarHBondContact O-N 2.83Å; Y568-G571 PolarHBondContact O-N 3.38Å; Y568-L572 HydrophobicContact CD1-CD2 4.49Å; Y568-L572 HydrophobicContact CE1-CD2 3.86Å; Y568-L572 HydrophobicContact CE2-CD2 4.39Å; Y568-L572 WeakPolarHBondContact O-CG 3.47Å; Y568-L572 PolarHBondContact O-N 3.18Å
569F91.9Very high89.3Confident4 Ų449.9 Ų49.92%0.01825%0.252CS..Hα-helixtrans-66.5-39179.4-72.8-66.6000113V508 L565 K566 G571 L572 L576 I615 L619 S647 L648V508-F569 HydrophobicContact CG1-CZ 3.99Å; V508-F569 HydrophobicContact CG2-CE1 4.3Å; V508-F569 HydrophobicContact CG2-CE2 4.33Å; V508-F569 HydrophobicContact CG2-CZ 3.78Å; L565-F569 HydrophobicContact CD1-CD2 4.32Å; L565-F569 HydrophobicContact CD1-CE2 3.68Å; L565-F569 HydrophobicContact CG-CE2 4.14Å; L565-F569 VanDerWaalsContact O-CD2 3.24Å; L565-F569 WeakPolarHBondContact O-CD2 3.48Å; L565-F569 PolarHBondContact O-N 2.67Å; K566-F569 PolarHBondContact O-N 3.34Å; F569-G571 VanDerWaalsContact C-N 3.26Å; F569-G571 PolarHBondContact O-N 3.5Å; F569-L572 HydrophobicContact CD1-CD1 3.96Å; F569-L572 PolarHBondContact O-N 2.94Å; F569-L576 HydrophobicContact CD1-CD2 4.29Å; F569-L576 HydrophobicContact CE1-CD1 4.33Å; F569-L576 HydrophobicContact CE1-CD2 4.18Å; F569-I615 HydrophobicContact CE1-CG2 3.81Å; F569-I615 HydrophobicContact CZ-CG2 4.19Å; F569-L619 HydrophobicContact CD2-CD2 4.36Å; F569-L619 HydrophobicContact CE1-CD2 4.31Å; F569-L619 HydrophobicContact CE2-CD1 3.91Å; F569-L619 HydrophobicContact CE2-CD2 3.86Å; F569-L619 HydrophobicContact CE2-CG 4.44Å; F569-L619 HydrophobicContact CZ-CD1 4.27Å; F569-L619 HydrophobicContact CZ-CD2 3.83Å; F569-L619 HydrophobicContact CZ-CG 4.44Å; F569-S647 CarbonylContact C-O 3.27Å; F569-L648 HydrophobicContact CB-CD2 3.87Å; F569-L648 HydrophobicContact CD1-CD2 4.15Å; F569-L648 HydrophobicContact CD2-CD2 4.32Å; F569-L648 HydrophobicContact CG-CD2 3.86Å
570R90.7Very high88.9Confident191 Ų19156.3 Ų56.372%0.72129%0.287SS*.Hα-helixtrans-64.8-29.9175.5-174.5177.8177.8-176.50.3112.7K566 L567 S647K566-R570 WeakPolarHBondContact O-CB 3.45Å; K566-R570 PolarHBondContact O-N 2.86Å; L567-R570 PolarHBondContact O-N 3.07Å; R570-S647 PolarHBondContact N-O 3.29Å
571G84.1Confident88.7Confident62 Ų6257.1 Ų57.164%0.63929%0.291SS*.THydrogen-bonded Turntrans-91.86.6-178.100000115.6L567 Y568 F569 E573L567-G571 PolarHBondContact O-N 3.23Å; Y568-G571 PolarHBondContact O-N 3.38Å; F569-G571 VanDerWaalsContact C-N 3.26Å; F569-G571 PolarHBondContact O-N 3.5Å; G571-E573 PolarHBondContact O-N 3.16Å
572L84.5Confident88.5Confident46 Ų4657.4 Ų57.424%0.24129%0.292CS..  trans-69.8127.8177.5-66.8176.5000111.3Y568 F569 H574Y568-L572 HydrophobicContact CD1-CD2 4.49Å; Y568-L572 HydrophobicContact CE1-CD2 3.86Å; Y568-L572 HydrophobicContact CE2-CD2 4.39Å; Y568-L572 WeakPolarHBondContact O-CG 3.47Å; Y568-L572 PolarHBondContact O-N 3.18Å; F569-L572 HydrophobicContact CD1-CD1 3.96Å; F569-L572 PolarHBondContact O-N 2.94Å; L572-H574 WeakPolarHBondContact CB-O 3.46Å; L572-H574 PolarHBondContact O-N 3.16Å; L572-H574 VanDerWaalsContact O-N 3.15Å
573E78.6Confident88.2Confident178 Ų17862.9 Ų62.983%0.83232%0.318SS*.SBendtrans-53.8-33.3171.9-175.3-175.5-160.200112.2G571G571-E573 PolarHBondContact O-N 3.16Å
574H79.6Confident88Confident146 Ų14666.8 Ų66.868%0.67634%0.335SS*.SBendtrans-118.1103.1171.6-6276.2000107.9L572L572-H574 WeakPolarHBondContact CB-O 3.46Å; L572-H574 PolarHBondContact O-N 3.16Å; L572-H574 VanDerWaalsContact O-N 3.15Å
575P84.7Confident87.8Confident59 Ų5966.6 Ų66.638%0.38333%0.334SS..  trans-54.4148.8-179.4-28.635.8000112.6F577P575-F577 PolarHBondContact O-N 3.36Å
576L86.6Confident87.5Confident6 Ų667.9 Ų67.93%0.03134%0.341CS..SBendtrans-57.8-38.2-177.6-161.972.3000111F569 T612 I615 M616 L619 L648F569-L576 HydrophobicContact CD1-CD2 4.29Å; F569-L576 HydrophobicContact CE1-CD1 4.33Å; F569-L576 HydrophobicContact CE1-CD2 4.18Å; L576-T612 HydrophobicContact CD1-CG2 3.98Å; L576-I615 HydrophobicContact CD1-CB 4.31Å; L576-I615 HydrophobicContact CD1-CG2 3.87Å; L576-M616 HydrophobicContact CD1-CG 4.16Å; L576-M616 HydrophobicContact CD2-CG 3.77Å; L576-M616 HydrophobicContact CG-CE 3.96Å; L576-M616 HydrophobicContact CG-CG 3.8Å; L576-M616 WeakPolarHBondContact O-CE 3.43Å; L576-L619 HydrophobicContact CD2-CD2 4.12Å; L576-L648 HydrophobicContact CB-CD2 4.42Å; L576-L648 HydrophobicContact CD2-CD2 3.86Å
577F89.9Confident87.2Confident5 Ų569 Ų692%0.02236%0.356CS..SBendtrans-106105.9167.1-63.3-97.9000110.1P575 L585 L605 M616 F620 L648 M649 I668 I671P575-F577 PolarHBondContact O-N 3.36Å; F577-L585 HydrophobicContact CD1-CD1 3.68Å; F577-L585 HydrophobicContact CE1-CD1 4.24Å; F577-L605 HydrophobicContact CD1-CD2 4.02Å; F577-L605 HydrophobicContact CE1-CD2 3.78Å; F577-M616 HydrophobicContact CD1-CE 3.84Å; F577-M616 HydrophobicContact CD2-CE 4.12Å; F577-M616 HydrophobicContact CE1-CE 3.78Å; F577-M616 HydrophobicContact CE2-CE 4.05Å; F577-M616 HydrophobicContact CG-CE 4.03Å; F577-M616 HydrophobicContact CZ-CE 3.89Å; F577-F620 HydrophobicContact CE2-CE2 4.07Å; F577-F620 HydrophobicContact CE2-CZ 4.06Å; F577-F620 AromaticContact CZ-CE2 3.8Å; F577-F620 HydrophobicContact CZ-CE2 3.8Å; F577-F620 AromaticContact CZ-CZ 3.85Å; F577-F620 HydrophobicContact CZ-CZ 3.85Å; F577-L648 HydrophobicContact CD2-CB 3.98Å; F577-L648 WeakPolarHBondContact CD2-O 3.17Å; F577-L648 HydrophobicContact CE2-CB 4.03Å; F577-L648 HydrophobicContact CE2-CD1 4.34Å; F577-L648 PolarHBondContact N-O 3.48Å; F577-M649 HydrophobicContact CB-CB 4.19Å; F577-M649 HydrophobicContact CB-CE 3.57Å; F577-M649 HydrophobicContact CB-CG 4.4Å; F577-M649 HydrophobicContact CD1-CE 3.64Å; F577-M649 HydrophobicContact CE1-CE 4.45Å; F577-M649 HydrophobicContact CG-CE 3.69Å; F577-I668 HydrophobicContact CE2-CD1 3.88Å; F577-I668 HydrophobicContact CZ-CD1 3.97Å; F577-I671 HydrophobicContact CE1-CD1 3.8Å; F577-I671 HydrophobicContact CZ-CD1 3.8Å
578P87.6Confident87.1Confident38 Ų3866.4 Ų66.425%0.24734%0.343CS..  trans-61.9147.3177.8-25.235.6000113.1D580 I581 L608P578-D580 PolarHBondContact O-N 3.03Å; P578-D580 VanDerWaalsContact O-N 3.15Å; P578-I581 VanDerWaalsContact O-CG1 3.32Å; P578-I581 WeakPolarHBondContact O-CG1 3.42Å; P578-I581 PolarHBondContact O-N 2.9Å; P578-L608 HydrophobicContact CG-CD2 3.74Å
579K84.1Confident86.8Confident113 Ų11363.8 Ų63.849%0.49134%0.335SS..G310 helixtrans-55.7-32.6177.2-65.9-170.7177.5-172.40112.2I581 F582 E653K579-I581 VanDerWaalsContact C-N 3.26Å; K579-I581 PolarHBondContact O-N 2.64Å; K579-F582 WeakPolarHBondContact O-CB 3.35Å; K579-F582 PolarHBondContact O-N 3.43Å; K579-F582 VanDerWaalsContact O-N 3.1Å; K579-E653 IonicContact NZ-OE1 3.66Å; K579-E653 PolarHBondContact NZ-OE1 3.16Å
580D86Confident86.4Confident149 Ų14968.6 Ų68.680%0.79736%0.364SS*.G310 helixtrans-60.9-28.3-177.5-55.3-36.1000114.5P578P578-D580 PolarHBondContact O-N 3.03Å; P578-D580 VanDerWaalsContact O-N 3.15Å
581I89.1Confident86.1Confident17 Ų1761.6 Ų61.69%0.08734%0.34CS..G310 helixtrans-100.23.8179.463.7167.4000113.2P578 K579 H583 D584 L585 V604 L605 L608P578-I581 VanDerWaalsContact O-CG1 3.32Å; P578-I581 WeakPolarHBondContact O-CG1 3.42Å; P578-I581 PolarHBondContact O-N 2.9Å; K579-I581 VanDerWaalsContact C-N 3.26Å; K579-I581 PolarHBondContact O-N 2.64Å; I581-H583 PolarHBondContact O-N 2.96Å; I581-D584 PolarHBondContact O-N 3.22Å; I581-L585 HydrophobicContact CD1-CD1 3.72Å; I581-L585 HydrophobicContact CD1-CG 4.44Å; I581-L585 HydrophobicContact CG1-CD1 3.96Å; I581-L585 WeakPolarHBondContact O-CG 3.42Å; I581-L585 PolarHBondContact O-N 3.44Å; I581-L585 VanDerWaalsContact O-N 3.08Å; I581-V604 HydrophobicContact CB-CG1 3.96Å; I581-V604 HydrophobicContact CD1-CG1 4.43Å; I581-V604 HydrophobicContact CG2-CG1 4.31Å; I581-L605 HydrophobicContact CD1-CD2 4.08Å; I581-L608 HydrophobicContact CD1-CD1 3.94Å; I581-L608 HydrophobicContact CD1-CD2 3.97Å; I581-L608 HydrophobicContact CD1-CG 4.15Å
582F88.1Confident85.9Confident6 Ų666.5 Ų66.53%0.02635%0.352CS..Hα-helixtrans-58.2-52.6-175.8-178.5-94.9000111.9K579 D584 L585 I586 M649 V651 P652 C660 V664K579-F582 WeakPolarHBondContact O-CB 3.35Å; K579-F582 PolarHBondContact O-N 3.43Å; K579-F582 VanDerWaalsContact O-N 3.1Å; F582-D584 PolarHBondContact O-N 3.07Å; F582-L585 PolarHBondContact O-N 3.39Å; F582-I586 HydrophobicContact CD1-CG1 4.09Å; F582-I586 HydrophobicContact CD2-CG1 4.39Å; F582-I586 HydrophobicContact CE1-CG1 3.73Å; F582-I586 HydrophobicContact CE2-CD1 4.19Å; F582-I586 HydrophobicContact CE2-CG1 4.06Å; F582-I586 HydrophobicContact CG-CG1 4.4Å; F582-I586 HydrophobicContact CZ-CD1 4.04Å; F582-I586 HydrophobicContact CZ-CG1 3.71Å; F582-I586 WeakPolarHBondContact O-CG1 3.23Å; F582-I586 PolarHBondContact O-N 2.65Å; F582-M649 HydrophobicContact CD2-CG 3.81Å; F582-M649 HydrophobicContact CD2-SD 3.55Å; F582-M649 VanDerWaalsContact CD2-SD 3.55Å; F582-M649 HydrophobicContact CE2-CG 3.99Å; F582-M649 HydrophobicContact CE2-SD 3.7Å; F582-V651 HydrophobicContact CZ-CG1 4.27Å; F582-V651 HydrophobicContact CZ-CG2 4.46Å; F582-P652 HydrophobicContact CB-CG 4.25Å; F582-P652 HydrophobicContact CD1-CG 3.69Å; F582-P652 HydrophobicContact CD2-CG 4.24Å; F582-P652 VanDerWaalsContact CE1-CD 3.45Å; F582-P652 HydrophobicContact CE1-CG 4.06Å; F582-P652 HydrophobicContact CG-CG 3.8Å; F582-P652 VanDerWaalsContact CZ-CD 3.49Å; F582-P652 HydrophobicContact CZ-CG 4.49Å; F582-C660 HydrophobicContact CZ-CB 4.49Å; F582-V664 HydrophobicContact CE2-CG2 3.88Å; F582-V664 HydrophobicContact CZ-CG2 4.34Å
583H88Confident86.1Confident116 Ų11667.6 Ų67.654%0.53736%0.358SS..Hα-helixtrans-60.6-43.1-178.5-65.7-73.7000112.9I581 L585 I586 A587 H655I581-H583 PolarHBondContact O-N 2.96Å; H583-L585 VanDerWaalsContact C-N 3.32Å; H583-L585 PolarHBondContact O-N 2.72Å; H583-I586 PolarHBondContact O-N 3.02Å; H583-A587 VanDerWaalsContact O-CB 3.31Å; H583-A587 WeakPolarHBondContact O-CB 3.37Å; H583-A587 PolarHBondContact O-N 3.05Å; H583-H655 AromaticContact CE1-NE2 3.2Å; H583-H655 PolarHBondContact CE1-NE2 3.21Å; H583-H655 AromaticContact ND1-NE2 3.93Å
584D88.9Confident86.4Confident96 Ų9661.9 Ų61.951%0.51333%0.333SS..Hα-helixtrans-64.2-37.6178.9-72.2-16.6000111.7I581 F582 C588 V604I581-D584 PolarHBondContact O-N 3.22Å; F582-D584 PolarHBondContact O-N 3.07Å; D584-C588 PolarHBondContact O-N 3.02Å; D584-C588 PolarHBondContact O-SG 2.93Å; D584-V604 HydrophobicContact CB-CG1 3.93Å; D584-V604 HydrophobicContact CB-CG2 3.95Å
585L89.9Confident86.7Confident0 Ų059.2 Ų59.20%032%0.32CS..Hα-helixtrans-72.6-42.3176.8-70.9176.8000112.7F577 I581 F582 H583 A587 C588 I601 V604 L605 M649 L667F577-L585 HydrophobicContact CD1-CD1 3.68Å; F577-L585 HydrophobicContact CE1-CD1 4.24Å; I581-L585 HydrophobicContact CD1-CD1 3.72Å; I581-L585 HydrophobicContact CD1-CG 4.44Å; I581-L585 HydrophobicContact CG1-CD1 3.96Å; I581-L585 WeakPolarHBondContact O-CG 3.42Å; I581-L585 PolarHBondContact O-N 3.44Å; I581-L585 VanDerWaalsContact O-N 3.08Å; F582-L585 PolarHBondContact O-N 3.39Å; H583-L585 VanDerWaalsContact C-N 3.32Å; H583-L585 PolarHBondContact O-N 2.72Å; L585-A587 VanDerWaalsContact C-N 3.32Å; L585-A587 PolarHBondContact O-N 3.41Å; L585-C588 WeakPolarHBondContact O-CB 3.36Å; L585-C588 PolarHBondContact O-N 2.96Å; L585-C588 VanDerWaalsContact O-N 3.15Å; L585-I601 HydrophobicContact CD2-CG2 4.24Å; L585-V604 HydrophobicContact CD2-CB 3.88Å; L585-V604 HydrophobicContact CD2-CG1 3.69Å; L585-V604 HydrophobicContact CG-CG1 3.84Å; L585-L605 HydrophobicContact CD1-CD2 4.19Å; L585-L605 HydrophobicContact CD2-CD2 4.15Å; L585-L605 HydrophobicContact CD2-CG 4.41Å; L585-M649 HydrophobicContact CB-CE 4.47Å; L585-M649 HydrophobicContact CD1-CE 3.51Å; L585-L667 HydrophobicContact CB-CD1 4.37Å; L585-L667 HydrophobicContact CB-CD2 3.77Å; L585-L667 HydrophobicContact CD1-CD2 4.26Å; L585-L667 HydrophobicContact CD2-CD1 4.5Å; L585-L667 HydrophobicContact CG-CD2 4.5Å
586I88.9Confident86.7Confident28 Ų2861.2 Ų61.214%0.14433%0.325CS..Hα-helixtrans-65.5-37.2176.5-62.8-61.7000110.9F582 H583 C588 V589 H663 V664F582-I586 HydrophobicContact CD1-CG1 4.09Å; F582-I586 HydrophobicContact CD2-CG1 4.39Å; F582-I586 HydrophobicContact CE1-CG1 3.73Å; F582-I586 HydrophobicContact CE2-CD1 4.19Å; F582-I586 HydrophobicContact CE2-CG1 4.06Å; F582-I586 HydrophobicContact CG-CG1 4.4Å; F582-I586 HydrophobicContact CZ-CD1 4.04Å; F582-I586 HydrophobicContact CZ-CG1 3.71Å; F582-I586 WeakPolarHBondContact O-CG1 3.23Å; F582-I586 PolarHBondContact O-N 2.65Å; H583-I586 PolarHBondContact O-N 3.02Å; I586-C588 PolarHBondContact O-N 3.25Å; I586-V589 WeakPolarHBondContact O-CB 3.41Å; I586-V589 PolarHBondContact O-N 3.31Å; I586-H663 HydrophobicContact CD1-CB 3.85Å; I586-H663 HydrophobicContact CG2-CB 4.16Å; I586-V664 HydrophobicContact CD1-CG2 3.95Å
587A87.1Confident87Confident59 Ų5962 Ų6249%0.48833%0.327SS..Hα-helixtrans-62.8-2317400000113.7H583 L585 T590H583-A587 VanDerWaalsContact O-CB 3.31Å; H583-A587 WeakPolarHBondContact O-CB 3.37Å; H583-A587 PolarHBondContact O-N 3.05Å; L585-A587 VanDerWaalsContact C-N 3.32Å; L585-A587 PolarHBondContact O-N 3.41Å; A587-T590 PolarHBondContact O-OG1 2.98Å; A587-T590 VanDerWaalsContact O-OG1 3.12Å
588C88.2Confident87Confident8 Ų861.8 Ų61.85%0.05433%0.327CS..Hα-helixtrans-71.1-31.2171.9-62.30000112D584 L585 I586 T590 M591 R597 I601D584-C588 PolarHBondContact O-N 3.02Å; D584-C588 PolarHBondContact O-SG 2.93Å; L585-C588 WeakPolarHBondContact O-CB 3.36Å; L585-C588 PolarHBondContact O-N 2.96Å; L585-C588 VanDerWaalsContact O-N 3.15Å; I586-C588 PolarHBondContact O-N 3.25Å; C588-T590 PolarHBondContact O-N 2.88Å; C588-M591 WeakPolarHBondContact O-CB 3.3Å; C588-M591 WeakPolarHBondContact O-CG 3.33Å; C588-M591 PolarHBondContact O-N 2.99Å; C588-M591 VanDerWaalsContact O-N 3.15Å; C588-R597 HydrophobicContact CB-CG 4.46Å; C588-R597 WeakPolarHBondContact O-CG 3.43Å; C588-I601 HydrophobicContact CB-CG1 3.85Å
589V86.9Confident87.1Confident13 Ų1364.6 Ų64.68%0.07934%0.343CS..Hα-helixtrans-65-28.3-173.8-1770000112.2I586 M591 R597 H663 E666 L667I586-V589 WeakPolarHBondContact O-CB 3.41Å; I586-V589 PolarHBondContact O-N 3.31Å; V589-M591 PolarHBondContact O-N 3.38Å; V589-R597 PolarHBondContact O-NH2 3.02Å; V589-R597 VanDerWaalsContact O-NH2 3.1Å; V589-H663 HydrophobicContact CG1-CB 4.42Å; V589-E666 HydrophobicContact CG1-CB 4Å; V589-E666 HydrophobicContact CG1-CG 3.77Å; V589-L667 HydrophobicContact CG2-CB 3.78Å; V589-L667 HydrophobicContact CG2-CD1 4.28Å
590T82.6Confident87.4Confident104 Ų10463.1 Ų63.164%0.63834%0.338SS*.THydrogen-bonded Turntrans-75.73.5178.262.40000114.1A587 C588A587-T590 PolarHBondContact O-OG1 2.98Å; A587-T590 VanDerWaalsContact O-OG1 3.12Å; C588-T590 PolarHBondContact O-N 2.88Å
591M85.8Confident87.7Confident45 Ų4556 Ų5622%0.22230%0.3CS..  trans-88.7123.6175.1-58.6-175.874.100110.9C588 V589 N593 E596 R597 H600C588-M591 WeakPolarHBondContact O-CB 3.3Å; C588-M591 WeakPolarHBondContact O-CG 3.33Å; C588-M591 PolarHBondContact O-N 2.99Å; C588-M591 VanDerWaalsContact O-N 3.15Å; V589-M591 PolarHBondContact O-N 3.38Å; M591-N593 PolarHBondContact O-N 3.47Å; M591-E596 HydrophobicContact CE-CB 3.89Å; M591-R597 HydrophobicContact CB-CB 4.34Å; M591-R597 PolarHBondContact O-NE 3Å; M591-R597 PolarHBondContact O-NH2 3.3Å; M591-H600 HydrophobicContact SD-CB 4.26Å
592D79.9Confident87.9Confident164 Ų16459 Ų5988%0.87731%0.31SS*.SBendtrans-67.5-33.7-177.7-61.7-45.3000113.7L594D592-L594 PolarHBondContact O-N 3.17Å
593N87.3Confident88.1Confident69 Ų6966.2 Ų66.237%0.36934%0.341SS..  trans-82.9109.7-178.6-176.8-7.5000111.3M591 Q595 E596 R597M591-N593 PolarHBondContact O-N 3.47Å; N593-Q595 PolarHBondContact O-N 2.88Å; N593-Q595 PolarHBondContact OD1-N 3.43Å; N593-E596 HydrophobicContact CB-CB 4.12Å; N593-E596 HydrophobicContact CB-CG 4.23Å; N593-E596 WeakPolarHBondContact ND2-CG 3.31Å; N593-E596 PolarHBondContact ND2-OE1 2.7Å; N593-E596 PolarHBondContact O-N 3.12Å; N593-R597 WeakPolarHBondContact O-CB 3.42Å; N593-R597 PolarHBondContact O-N 3.32Å
594L84.6Confident88.3Confident59 Ų5961.7 Ų61.731%0.30932%0.321SS..Hα-helixtrans-54.7-34.4179.5-170.568.8000113.8D592 A598 T670 I673 Q674D592-L594 PolarHBondContact O-N 3.17Å; L594-A598 WeakPolarHBondContact O-CB 3.37Å; L594-A598 PolarHBondContact O-N 3.49Å; L594-T670 HydrophobicContact CD1-CG2 3.86Å; L594-I673 HydrophobicContact CD2-CG2 4.48Å; L594-Q674 HydrophobicContact CD1-CG 4.46Å; L594-Q674 HydrophobicContact CD2-CG 4.17Å; L594-Q674 HydrophobicContact CG-CG 4.03Å
595Q85.6Confident88.4Confident89 Ų8957.2 Ų57.242%0.41630%0.297SS..Hα-helixtrans-75.2-42.2-179.9-67.5-59.8-39.400111.9N593 R597 A598 V599N593-Q595 PolarHBondContact O-N 2.88Å; N593-Q595 PolarHBondContact OD1-N 3.43Å; Q595-R597 VanDerWaalsContact C-N 3.34Å; Q595-A598 PolarHBondContact O-N 3.38Å; Q595-V599 WeakPolarHBondContact O-CG2 3.45Å; Q595-V599 PolarHBondContact O-N 2.72Å; Q595-V599 VanDerWaalsContact O-N 3.09Å
596E86.8Confident88.3Confident102 Ų10261.3 Ų61.348%0.47732%0.319SS..Hα-helixtrans-66.4-39.1173.6-71.4170.3-138.400111.4M591 N593 V599 H600M591-E596 HydrophobicContact CE-CB 3.89Å; N593-E596 HydrophobicContact CB-CB 4.12Å; N593-E596 HydrophobicContact CB-CG 4.23Å; N593-E596 WeakPolarHBondContact ND2-CG 3.31Å; N593-E596 PolarHBondContact ND2-OE1 2.7Å; N593-E596 PolarHBondContact O-N 3.12Å; E596-V599 PolarHBondContact O-N 3.4Å; E596-H600 PolarHBondContact O-N 2.97Å; E596-H600 PolarHBondContact O-ND1 3.42Å
597R91.3Very high88.3Confident22 Ų2265.4 Ų65.48%0.08335%0.345CS..Hα-helixtrans-56.4-48.6172.5-174-172.8-63.2178.50.7110.9C588 V589 M591 N593 Q595 V599 H600 I601 E666 T670C588-R597 HydrophobicContact CB-CG 4.46Å; C588-R597 WeakPolarHBondContact O-CG 3.43Å; V589-R597 PolarHBondContact O-NH2 3.02Å; V589-R597 VanDerWaalsContact O-NH2 3.1Å; M591-R597 HydrophobicContact CB-CB 4.34Å; M591-R597 PolarHBondContact O-NE 3Å; M591-R597 PolarHBondContact O-NH2 3.3Å; N593-R597 WeakPolarHBondContact O-CB 3.42Å; N593-R597 PolarHBondContact O-N 3.32Å; Q595-R597 VanDerWaalsContact C-N 3.34Å; R597-V599 PolarHBondContact O-N 2.89Å; R597-H600 PolarHBondContact O-N 3.46Å; R597-I601 HydrophobicContact CG-CD1 3.87Å; R597-I601 VanDerWaalsContact O-CG1 3.29Å; R597-I601 WeakPolarHBondContact O-CG1 3.46Å; R597-I601 PolarHBondContact O-N 2.91Å; R597-E666 IonicContact CZ-OE1 3.23Å; R597-E666 IonicContact NH1-OE1 2.79Å; R597-E666 PolarHBondContact NH1-OE1 3.33Å; R597-T670 HydrophobicContact CG-CG2 4.15Å; R597-T670 PolarHBondContact NH1-OG1 3.16Å
598A90.1Very high88.4Confident1 Ų163.4 Ų63.41%0.00833%0.326CS..Hα-helixtrans-60-41.4176.800000112.9L594 Q595 H600 I601 R602 Q674 I678L594-A598 WeakPolarHBondContact O-CB 3.37Å; L594-A598 PolarHBondContact O-N 3.49Å; Q595-A598 PolarHBondContact O-N 3.38Å; A598-H600 PolarHBondContact O-N 2.87Å; A598-I601 PolarHBondContact O-N 3.46Å; A598-R602 WeakPolarHBondContact O-CB 3.38Å; A598-R602 PolarHBondContact O-N 3.47Å; A598-Q674 HydrophobicContact CB-CB 3.92Å; A598-Q674 HydrophobicContact CB-CG 4.18Å; A598-I678 HydrophobicContact CB-CD1 4.16Å; A598-I678 HydrophobicContact CB-CG1 3.87Å
599V90.3Very high88.4Confident97 Ų9766.8 Ų66.859%0.58835%0.348SS*.Hα-helixtrans-64.1-39.4176.2171.20000112.1Q595 E596 R597 K603Q595-V599 WeakPolarHBondContact O-CG2 3.45Å; Q595-V599 PolarHBondContact O-N 2.72Å; Q595-V599 VanDerWaalsContact O-N 3.09Å; E596-V599 PolarHBondContact O-N 3.4Å; R597-V599 PolarHBondContact O-N 2.89Å; V599-K603 PolarHBondContact O-N 3.32Å; V599-K603 VanDerWaalsContact O-N 3.12Å
600H90.3Very high88.4Confident82 Ų8273 Ų7338%0.3837%0.374SS..Hα-helixtrans-70.3-43.3176.6-73.380.6000111.8M591 E596 R597 A598 R602 K603 V604M591-H600 HydrophobicContact SD-CB 4.26Å; E596-H600 PolarHBondContact O-N 2.97Å; E596-H600 PolarHBondContact O-ND1 3.42Å; R597-H600 PolarHBondContact O-N 3.46Å; A598-H600 PolarHBondContact O-N 2.87Å; H600-R602 VanDerWaalsContact C-N 3.34Å; H600-R602 PolarHBondContact O-N 3.19Å; H600-K603 WeakPolarHBondContact O-CB 3.47Å; H600-K603 PolarHBondContact O-N 3.14Å; H600-K603 VanDerWaalsContact O-N 3.1Å; H600-V604 WeakPolarHBondContact O-CG2 3.46Å; H600-V604 PolarHBondContact O-N 3.08Å; H600-V604 VanDerWaalsContact O-N 3.07Å
601I92.8Very high88.6Confident0 Ų071.8 Ų71.80%037%0.368CS..Hα-helixtrans-57.8-45.8173.2-66.9164.5000110.6L585 C588 R597 A598 K603 V604 L605 L667 T670 I671 I678L585-I601 HydrophobicContact CD2-CG2 4.24Å; C588-I601 HydrophobicContact CB-CG1 3.85Å; R597-I601 HydrophobicContact CG-CD1 3.87Å; R597-I601 VanDerWaalsContact O-CG1 3.29Å; R597-I601 WeakPolarHBondContact O-CG1 3.46Å; R597-I601 PolarHBondContact O-N 2.91Å; A598-I601 PolarHBondContact O-N 3.46Å; I601-K603 VanDerWaalsContact C-N 3.3Å; I601-K603 PolarHBondContact O-N 3.45Å; I601-V604 PolarHBondContact O-N 3.03Å; I601-L605 HydrophobicContact CG2-CD1 3.71Å; I601-L605 HydrophobicContact CG2-CG 4.06Å; I601-L605 WeakPolarHBondContact O-CG 3.36Å; I601-L605 PolarHBondContact O-N 3.45Å; I601-L667 HydrophobicContact CD1-CD1 3.64Å; I601-L667 HydrophobicContact CG1-CD1 3.93Å; I601-T670 HydrophobicContact CD1-CG2 3.63Å; I601-I671 HydrophobicContact CG2-CD1 4.24Å; I601-I671 HydrophobicContact CG2-CG1 4.04Å; I601-I678 HydrophobicContact CB-CD1 4.47Å; I601-I678 HydrophobicContact CG2-CD1 4.18Å; I601-I678 HydrophobicContact CG2-CG1 4.42Å; I601-I678 HydrophobicContact CG2-CG2 3.95Å
602R93Very high88.8Confident80 Ų8071.3 Ų71.330%0.30237%0.367SS..Hα-helixtrans-54.3-45.8174.2179.1161-175.9-125.57.5111.7A598 H600 V604 L605 L606 N677 I678 E684A598-R602 WeakPolarHBondContact O-CB 3.38Å; A598-R602 PolarHBondContact O-N 3.47Å; H600-R602 VanDerWaalsContact C-N 3.34Å; H600-R602 PolarHBondContact O-N 3.19Å; R602-V604 VanDerWaalsContact C-N 3.34Å; R602-V604 PolarHBondContact O-N 2.9Å; R602-L605 PolarHBondContact O-N 3.48Å; R602-L606 HydrophobicContact CG-CD1 3.87Å; R602-L606 HydrophobicContact CG-CG 4.25Å; R602-L606 WeakPolarHBondContact O-CB 3.42Å; R602-L606 WeakPolarHBondContact O-CG 3.43Å; R602-L606 PolarHBondContact O-N 2.99Å; R602-N677 WeakPolarHBondContact CD-O 3.46Å; R602-I678 WeakPolarHBondContact CB-O 3.42Å; R602-I678 VanDerWaalsContact CD-O 3.31Å; R602-I678 WeakPolarHBondContact CD-O 3.31Å; R602-I678 WeakPolarHBondContact CG-O 3.35Å; R602-E684 IonicContact NH2-OE1 2.82Å; R602-E684 IonicContact NH2-OE2 3.25Å; R602-E684 PolarHBondContact NH2-OE2 3.01Å
603K91.5Very high89.3Confident157 Ų15763.9 Ų63.968%0.68333%0.328SS*.Hα-helixtrans-61.6-39.6179.8-173.1-174.4175-1690112.4V599 H600 I601V599-K603 PolarHBondContact O-N 3.32Å; V599-K603 VanDerWaalsContact O-N 3.12Å; H600-K603 WeakPolarHBondContact O-CB 3.47Å; H600-K603 PolarHBondContact O-N 3.14Å; H600-K603 VanDerWaalsContact O-N 3.1Å; I601-K603 VanDerWaalsContact C-N 3.3Å; I601-K603 PolarHBondContact O-N 3.45Å
604V92Very high89.4Confident20 Ų2061.2 Ų61.212%0.12131%0.313CS..Hα-helixtrans-72-47.1177.6179.80000111I581 D584 L585 H600 I601 R602 L606 V607I581-V604 HydrophobicContact CB-CG1 3.96Å; I581-V604 HydrophobicContact CD1-CG1 4.43Å; I581-V604 HydrophobicContact CG2-CG1 4.31Å; D584-V604 HydrophobicContact CB-CG1 3.93Å; D584-V604 HydrophobicContact CB-CG2 3.95Å; L585-V604 HydrophobicContact CD2-CB 3.88Å; L585-V604 HydrophobicContact CD2-CG1 3.69Å; L585-V604 HydrophobicContact CG-CG1 3.84Å; H600-V604 WeakPolarHBondContact O-CG2 3.46Å; H600-V604 PolarHBondContact O-N 3.08Å; H600-V604 VanDerWaalsContact O-N 3.07Å; I601-V604 PolarHBondContact O-N 3.03Å; R602-V604 VanDerWaalsContact C-N 3.34Å; R602-V604 PolarHBondContact O-N 2.9Å; V604-L606 VanDerWaalsContact C-N 3.31Å; V604-L606 PolarHBondContact O-N 3.43Å; V604-V607 WeakPolarHBondContact O-CB 3.46Å; V604-V607 WeakPolarHBondContact O-CG2 3.45Å; V604-V607 PolarHBondContact O-N 2.94Å
605L91Very high89.7Confident2 Ų259.8 Ų59.81%0.0131%0.306CS..Hα-helixtrans-66.2-29.8-179-64.4-177.7000113.2F577 I581 L585 I601 R602 V607 L608 L613 M616 I671 I678 F679F577-L605 HydrophobicContact CD1-CD2 4.02Å; F577-L605 HydrophobicContact CE1-CD2 3.78Å; I581-L605 HydrophobicContact CD1-CD2 4.08Å; L585-L605 HydrophobicContact CD1-CD2 4.19Å; L585-L605 HydrophobicContact CD2-CD2 4.15Å; L585-L605 HydrophobicContact CD2-CG 4.41Å; I601-L605 HydrophobicContact CG2-CD1 3.71Å; I601-L605 HydrophobicContact CG2-CG 4.06Å; I601-L605 WeakPolarHBondContact O-CG 3.36Å; I601-L605 PolarHBondContact O-N 3.45Å; R602-L605 PolarHBondContact O-N 3.48Å; L605-V607 PolarHBondContact O-N 2.94Å; L605-L608 HydrophobicContact CD2-CD1 3.9Å; L605-L608 VanDerWaalsContact O-CB 3.26Å; L605-L608 WeakPolarHBondContact O-CB 3.37Å; L605-L608 WeakPolarHBondContact O-CG 3.4Å; L605-L608 PolarHBondContact O-N 2.69Å; L605-L613 HydrophobicContact CB-CD2 4.23Å; L605-L613 WeakPolarHBondContact O-CD2 3.44Å; L605-M616 HydrophobicContact CD1-SD 4.42Å; L605-M616 HydrophobicContact CD2-CE 4.24Å; L605-M616 HydrophobicContact CD2-SD 4.34Å; L605-I671 HydrophobicContact CD1-CD1 4.5Å; L605-I678 HydrophobicContact CD1-CG2 3.76Å; L605-F679 HydrophobicContact CD1-CE1 3.94Å; L605-F679 HydrophobicContact CD1-CZ 4.15Å
606L88.9Confident90.1Very high86 Ų8655.6 Ų55.645%0.4529%0.286SS..THydrogen-bonded Turntrans-62.4-10.3176-81.4174.8000114.9R602 V604 L608 L613 P680R602-L606 HydrophobicContact CG-CD1 3.87Å; R602-L606 HydrophobicContact CG-CG 4.25Å; R602-L606 WeakPolarHBondContact O-CB 3.42Å; R602-L606 WeakPolarHBondContact O-CG 3.43Å; R602-L606 PolarHBondContact O-N 2.99Å; V604-L606 VanDerWaalsContact C-N 3.31Å; V604-L606 PolarHBondContact O-N 3.43Å; L606-L608 VanDerWaalsContact C-N 3.3Å; L606-L613 HydrophobicContact CD2-CD1 4.44Å; L606-P680 HydrophobicContact CD2-CG 3.69Å
607V89.2Confident90.3Very high114 Ų11451.4 Ų51.469%0.69127%0.266SS*.THydrogen-bonded Turntrans-75.4-20.8170.9-176.50000111.8V604 L605V604-V607 WeakPolarHBondContact O-CB 3.46Å; V604-V607 WeakPolarHBondContact O-CG2 3.45Å; V604-V607 PolarHBondContact O-N 2.94Å; L605-V607 PolarHBondContact O-N 2.94Å
608L88.4Confident90.4Very high17 Ų1751.4 Ų51.49%0.08927%0.266CS..SBendtrans-74.3155.1-175.7-63.5177.8000113.6P578 I581 L605 L606 T612 L613 M616P578-L608 HydrophobicContact CG-CD2 3.74Å; I581-L608 HydrophobicContact CD1-CD1 3.94Å; I581-L608 HydrophobicContact CD1-CD2 3.97Å; I581-L608 HydrophobicContact CD1-CG 4.15Å; L605-L608 HydrophobicContact CD2-CD1 3.9Å; L605-L608 VanDerWaalsContact O-CB 3.26Å; L605-L608 WeakPolarHBondContact O-CB 3.37Å; L605-L608 WeakPolarHBondContact O-CG 3.4Å; L605-L608 PolarHBondContact O-N 2.69Å; L606-L608 VanDerWaalsContact C-N 3.3Å; L608-T612 HydrophobicContact CD1-CG2 4.42Å; L608-L613 HydrophobicContact CB-CG 4.29Å; L608-M616 HydrophobicContact CD1-CE 3.46Å; L608-M616 VanDerWaalsContact CD1-CE 3.46Å; L608-M616 HydrophobicContact CD1-SD 4.09Å
609P88.8Confident90.6Very high79 Ų7951.4 Ų51.451%0.51327%0.266SS..  trans-56.3141.1175.4-25.134.9000112.9P611 T612 L613P609-P611 VanDerWaalsContact C-CD 3.43Å; P609-P611 VanDerWaalsContact C-N 3.33Å; P609-T612 WeakPolarHBondContact O-CB 3.31Å; P609-T612 PolarHBondContact O-N 3.15Å; P609-L613 PolarHBondContact O-N 3.27Å; P609-L613 VanDerWaalsContact O-N 3.1Å
610K86.5Confident90.8Very high144 Ų14446.8 Ų46.863%0.62624%0.238SC*.Hα-helixtrans-50.1-41.6177.5-68.8-171.8177.2-170.40114.3T612 L613 I614 L685K610-T612 PolarHBondContact O-N 3.32Å; K610-L613 PolarHBondContact O-N 2.69Å; K610-I614 WeakPolarHBondContact O-CG1 3.28Å; K610-I614 PolarHBondContact O-N 3.18Å; K610-L685 HydrophobicContact CB-CD1 4.01Å; K610-L685 HydrophobicContact CD-CD1 4Å; K610-L685 HydrophobicContact CG-CD1 3.94Å
611P87.4Confident91Very high79 Ų7943.4 Ų43.451%0.51322%0.224SC..Hα-helixtrans-61-42.7176-24.235.7000113P609 L613 I614 I615P609-P611 VanDerWaalsContact C-CD 3.43Å; P609-P611 VanDerWaalsContact C-N 3.33Å; P611-L613 VanDerWaalsContact C-N 3.34Å; P611-L613 PolarHBondContact O-N 3.27Å; P611-I614 PolarHBondContact O-N 2.95Å; P611-I615 WeakPolarHBondContact O-CG1 3.49Å; P611-I615 PolarHBondContact O-N 3.37Å; P611-I615 VanDerWaalsContact O-N 3.08Å
612T89.2Confident91.1Very high34 Ų3443.4 Ų43.421%0.20922%0.224CC..Hα-helixtrans-60.3-44.3176.2-47.10000111L576 L608 P609 K610 I614 I615 M616L576-T612 HydrophobicContact CD1-CG2 3.98Å; L608-T612 HydrophobicContact CD1-CG2 4.42Å; P609-T612 WeakPolarHBondContact O-CB 3.31Å; P609-T612 PolarHBondContact O-N 3.15Å; K610-T612 PolarHBondContact O-N 3.32Å; T612-I614 VanDerWaalsContact C-N 3.34Å; T612-I614 PolarHBondContact O-N 3.49Å; T612-I615 PolarHBondContact O-N 3.45Å; T612-M616 HydrophobicContact CG2-CE 4.23Å; T612-M616 WeakPolarHBondContact O-CG 3.31Å; T612-M616 PolarHBondContact O-N 2.89Å
613L89.9Confident91.2Very high8 Ų839.6 Ų39.64%0.04221%0.21CC..Hα-helixtrans-64.7-33.7176.8-73.4173.5000113.5L605 L606 L608 P609 K610 P611 M616 R617 F679 L685L605-L613 HydrophobicContact CB-CD2 4.23Å; L605-L613 WeakPolarHBondContact O-CD2 3.44Å; L606-L613 HydrophobicContact CD2-CD1 4.44Å; L608-L613 HydrophobicContact CB-CG 4.29Å; P609-L613 PolarHBondContact O-N 3.27Å; P609-L613 VanDerWaalsContact O-N 3.1Å; K610-L613 PolarHBondContact O-N 2.69Å; P611-L613 VanDerWaalsContact C-N 3.34Å; P611-L613 PolarHBondContact O-N 3.27Å; L613-M616 HydrophobicContact CD2-SD 4.31Å; L613-R617 WeakPolarHBondContact O-CB 3.39Å; L613-R617 PolarHBondContact O-N 2.87Å; L613-F679 HydrophobicContact CD2-CD1 4.34Å; L613-F679 HydrophobicContact CD2-CE1 4.39Å; L613-L685 HydrophobicContact CB-CD2 3.82Å
614I90Very high91.4Very high14 Ų1433.4 Ų33.47%0.07218%0.184CC..Hα-helixtrans-66.2-45.8173.9-69164.5000110.3I504 K610 P611 T612 R617 Y618 L685 P688I504-I614 HydrophobicContact CG1-CG2 4.25Å; K610-I614 WeakPolarHBondContact O-CG1 3.28Å; K610-I614 PolarHBondContact O-N 3.18Å; P611-I614 PolarHBondContact O-N 2.95Å; T612-I614 VanDerWaalsContact C-N 3.34Å; T612-I614 PolarHBondContact O-N 3.49Å; I614-R617 PolarHBondContact O-N 3.41Å; I614-Y618 WeakPolarHBondContact O-CB 3.27Å; I614-Y618 PolarHBondContact O-N 3.09Å; I614-L685 HydrophobicContact CG1-CD1 4.36Å; I614-L685 HydrophobicContact CG1-CD2 4.04Å; I614-L685 HydrophobicContact CG1-CG 4.09Å; I614-P688 HydrophobicContact CG2-CG 3.89Å
615I91.6Very high91.5Very high29 Ų2933.3 Ų33.315%0.14918%0.182CC..Hα-helixtrans-63.8-45.4178.1-64.2166.5000110.8P505 F569 L576 P611 T612 Y618 L619P505-I615 HydrophobicContact CG-CD1 4.18Å; F569-I615 HydrophobicContact CE1-CG2 3.81Å; F569-I615 HydrophobicContact CZ-CG2 4.19Å; L576-I615 HydrophobicContact CD1-CB 4.31Å; L576-I615 HydrophobicContact CD1-CG2 3.87Å; P611-I615 WeakPolarHBondContact O-CG1 3.49Å; P611-I615 PolarHBondContact O-N 3.37Å; P611-I615 VanDerWaalsContact O-N 3.08Å; T612-I615 PolarHBondContact O-N 3.45Å; I615-Y618 PolarHBondContact O-N 3.34Å; I615-L619 WeakPolarHBondContact O-CB 3.45Å; I615-L619 PolarHBondContact O-N 2.9Å
616M92.8Very high91.7Very high0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-57.8-51.2174-74.3-176.1172.100111.8L576 F577 L605 L608 T612 L613 Y618 L619 F620 F679L576-M616 HydrophobicContact CD1-CG 4.16Å; L576-M616 HydrophobicContact CD2-CG 3.77Å; L576-M616 HydrophobicContact CG-CE 3.96Å; L576-M616 HydrophobicContact CG-CG 3.8Å; L576-M616 WeakPolarHBondContact O-CE 3.43Å; F577-M616 HydrophobicContact CD1-CE 3.84Å; F577-M616 HydrophobicContact CD2-CE 4.12Å; F577-M616 HydrophobicContact CE1-CE 3.78Å; F577-M616 HydrophobicContact CE2-CE 4.05Å; F577-M616 HydrophobicContact CG-CE 4.03Å; F577-M616 HydrophobicContact CZ-CE 3.89Å; L605-M616 HydrophobicContact CD1-SD 4.42Å; L605-M616 HydrophobicContact CD2-CE 4.24Å; L605-M616 HydrophobicContact CD2-SD 4.34Å; L608-M616 HydrophobicContact CD1-CE 3.46Å; L608-M616 VanDerWaalsContact CD1-CE 3.46Å; L608-M616 HydrophobicContact CD1-SD 4.09Å; T612-M616 HydrophobicContact CG2-CE 4.23Å; T612-M616 WeakPolarHBondContact O-CG 3.31Å; T612-M616 PolarHBondContact O-N 2.89Å; L613-M616 HydrophobicContact CD2-SD 4.31Å; M616-Y618 PolarHBondContact O-N 3.14Å; M616-L619 PolarHBondContact O-N 2.62Å; M616-F620 HydrophobicContact CB-CD2 4.3Å; M616-F620 WeakPolarHBondContact O-CD2 3.49Å; M616-F620 PolarHBondContact O-N 3.16Å; M616-F679 HydrophobicContact CB-CD1 4.3Å; M616-F679 HydrophobicContact CB-CE1 3.48Å; M616-F679 VanDerWaalsContact CB-CE1 3.48Å; M616-F679 HydrophobicContact CB-CZ 3.69Å; M616-F679 HydrophobicContact CG-CE1 4.29Å; M616-F679 HydrophobicContact CG-CZ 4.5Å; M616-F679 HydrophobicContact SD-CE1 3.83Å; M616-F679 HydrophobicContact SD-CZ 4.28Å
617R92.1Very high91.9Very high15 Ų1529.7 Ų29.76%0.05716%0.164CC..Hα-helixtrans-59.4-34.6-179.4-174.7174.259.967.40.5112L613 I614 A621 F679 P680 G687 P688L613-R617 WeakPolarHBondContact O-CB 3.39Å; L613-R617 PolarHBondContact O-N 2.87Å; I614-R617 PolarHBondContact O-N 3.41Å; R617-A621 WeakPolarHBondContact O-CB 3.45Å; R617-A621 PolarHBondContact O-N 3.48Å; R617-F679 HydrophobicContact CB-CB 3.97Å; R617-F679 HydrophobicContact CB-CD1 4.33Å; R617-F679 HydrophobicContact CB-CD2 4.47Å; R617-F679 HydrophobicContact CB-CG 3.99Å; R617-F679 HydrophobicContact CG-CB 3.78Å; R617-F679 HydrophobicContact CG-CG 4.27Å; R617-P680 VanDerWaalsContact CD-O 3.31Å; R617-P680 WeakPolarHBondContact CD-O 3.34Å; R617-G687 PolarHBondContact NH2-O 3.34Å; R617-P688 PolarHBondContact NH1-O 2.92Å; R617-P688 PolarHBondContact NH2-O 3.07Å
618Y92.4Very high92.1Very high22 Ų2228.7 Ų28.79%0.08615%0.152CC..Hα-helixtrans-72.4-48.9175.6-167.2-94.9000112.3I504 I512 I614 I615 M616 F622 Y690I504-Y618 HydrophobicContact CD1-CD1 3.84Å; I504-Y618 HydrophobicContact CD1-CD2 3.26Å; I504-Y618 HydrophobicContact CD1-CE1 4.18Å; I504-Y618 HydrophobicContact CD1-CE2 3.65Å; I504-Y618 HydrophobicContact CD1-CG 3.37Å; I504-Y618 HydrophobicContact CG1-CG 4.46Å; I512-Y618 HydrophobicContact CB-CE1 4.05Å; I512-Y618 HydrophobicContact CD1-CD1 3.77Å; I512-Y618 HydrophobicContact CD1-CE1 3.79Å; I512-Y618 HydrophobicContact CG2-CE1 3.73Å; I614-Y618 WeakPolarHBondContact O-CB 3.27Å; I614-Y618 PolarHBondContact O-N 3.09Å; I615-Y618 PolarHBondContact O-N 3.34Å; M616-Y618 PolarHBondContact O-N 3.14Å; Y618-F622 PolarHBondContact O-N 3.04Å; Y618-F622 VanDerWaalsContact O-N 3.14Å; Y618-Y690 VanDerWaalsContact CD2-N 3.31Å; Y618-Y690 HydrophobicContact CE1-CD2 4.45Å; Y618-Y690 HydrophobicContact CE2-CD2 4.36Å
619L94.6Very high92.4Very high0 Ų030.6 Ų30.60%016%0.16CC..Hα-helixtrans-61.3-50.8179.517765000112.1I512 F569 L576 I615 M616 A621 F622 L623 F644 L648I512-L619 HydrophobicContact CD1-CD1 4.14Å; F569-L619 HydrophobicContact CD2-CD2 4.36Å; F569-L619 HydrophobicContact CE1-CD2 4.31Å; F569-L619 HydrophobicContact CE2-CD1 3.91Å; F569-L619 HydrophobicContact CE2-CD2 3.86Å; F569-L619 HydrophobicContact CE2-CG 4.44Å; F569-L619 HydrophobicContact CZ-CD1 4.27Å; F569-L619 HydrophobicContact CZ-CD2 3.83Å; F569-L619 HydrophobicContact CZ-CG 4.44Å; L576-L619 HydrophobicContact CD2-CD2 4.12Å; I615-L619 WeakPolarHBondContact O-CB 3.45Å; I615-L619 PolarHBondContact O-N 2.9Å; M616-L619 PolarHBondContact O-N 2.62Å; L619-A621 PolarHBondContact O-N 3.35Å; L619-F622 WeakPolarHBondContact O-CB 3.43Å; L619-F622 PolarHBondContact O-N 3.08Å; L619-L623 HydrophobicContact CD1-CD1 4.23Å; L619-L623 HydrophobicContact CD1-CG 4.24Å; L619-L623 HydrophobicContact CG-CD1 4.09Å; L619-L623 HydrophobicContact CG-CG 4.44Å; L619-L623 WeakPolarHBondContact O-CG 3.41Å; L619-L623 PolarHBondContact O-N 3.41Å; L619-F644 HydrophobicContact CD1-CE1 4.26Å; L619-L648 HydrophobicContact CD2-CD1 4.1Å; L619-L648 HydrophobicContact CD2-CD2 3.86Å
620F95.3Very high92.5Very high0 Ų028.8 Ų28.80%015%0.149CC..Hα-helixtrans-70.9-29.5-175.8-77.4-73.6000113.1F577 M616 L623 N624 L648 I668 I671 I672 H675 F679F577-F620 HydrophobicContact CE2-CE2 4.07Å; F577-F620 HydrophobicContact CE2-CZ 4.06Å; F577-F620 AromaticContact CZ-CE2 3.8Å; F577-F620 HydrophobicContact CZ-CE2 3.8Å; F577-F620 AromaticContact CZ-CZ 3.85Å; F577-F620 HydrophobicContact CZ-CZ 3.85Å; M616-F620 HydrophobicContact CB-CD2 4.3Å; M616-F620 WeakPolarHBondContact O-CD2 3.49Å; M616-F620 PolarHBondContact O-N 3.16Å; F620-L623 HydrophobicContact CD1-CD1 4.32Å; F620-L623 HydrophobicContact CE1-CD1 4.46Å; F620-N624 VanDerWaalsContact O-CB 3.32Å; F620-N624 WeakPolarHBondContact O-CB 3.36Å; F620-N624 PolarHBondContact O-N 3.29Å; F620-L648 HydrophobicContact CZ-CD1 3.91Å; F620-I668 HydrophobicContact CE1-CG2 4.15Å; F620-I668 HydrophobicContact CZ-CD1 4.03Å; F620-I671 HydrophobicContact CB-CG2 4.34Å; F620-I671 HydrophobicContact CD1-CB 4.13Å; F620-I671 HydrophobicContact CD1-CG2 3.55Å; F620-I671 HydrophobicContact CD2-CG2 3.68Å; F620-I671 HydrophobicContact CE1-CB 3.88Å; F620-I671 HydrophobicContact CE1-CG2 3.61Å; F620-I671 HydrophobicContact CE2-CG2 3.76Å; F620-I671 HydrophobicContact CG-CG2 3.58Å; F620-I671 HydrophobicContact CZ-CB 4.18Å; F620-I671 HydrophobicContact CZ-CG2 3.73Å; F620-I672 HydrophobicContact CD1-CG1 3.7Å; F620-I672 HydrophobicContact CE1-CG1 3.91Å; F620-H675 HydrophobicContact CB-CB 4.09Å; F620-F679 HydrophobicContact CB-CE2 3.81Å; F620-F679 AromaticContact CD2-CE2 3.78Å; F620-F679 HydrophobicContact CD2-CE2 3.78Å; F620-F679 AromaticContact CD2-CZ 3.7Å; F620-F679 HydrophobicContact CD2-CZ 3.7Å; F620-F679 HydrophobicContact CE2-CZ 4.29Å; F620-F679 HydrophobicContact CG-CE2 4.01Å; F620-F679 HydrophobicContact CG-CZ 4.38Å
621A93.6Very high92.6Very high11 Ų1130.7 Ų30.79%0.09116%0.16CC..Hα-helixtrans-66.8-37.6169.800000112.2R617 L619 H625 Y690R617-A621 WeakPolarHBondContact O-CB 3.45Å; R617-A621 PolarHBondContact O-N 3.48Å; L619-A621 PolarHBondContact O-N 3.35Å; A621-H625 PolarHBondContact O-N 2.91Å; A621-H625 VanDerWaalsContact O-N 3.08Å; A621-Y690 HydrophobicContact CB-CD1 4.2Å
622F95.1Very high92.7Very high0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-66.1-47171.8161.8-107000112.2I512 I515 F526 L565 Y618 L619 N624 H625 L626 Y690I512-F622 HydrophobicContact CB-CG 4.47Å; I512-F622 HydrophobicContact CD1-CB 4.38Å; I512-F622 HydrophobicContact CD1-CD1 4.08Å; I512-F622 HydrophobicContact CD1-CG 4.35Å; I512-F622 HydrophobicContact CG1-CD1 3.88Å; I512-F622 HydrophobicContact CG1-CE1 4.2Å; I512-F622 HydrophobicContact CG1-CG 4.19Å; I512-F622 HydrophobicContact CG2-CB 3.86Å; I512-F622 HydrophobicContact CG2-CD1 4.21Å; I512-F622 HydrophobicContact CG2-CD2 3.7Å; I512-F622 HydrophobicContact CG2-CE2 4.31Å; I512-F622 HydrophobicContact CG2-CG 3.63Å; I515-F622 HydrophobicContact CB-CE2 4.47Å; I515-F622 HydrophobicContact CB-CZ 4.09Å; I515-F622 HydrophobicContact CG2-CE2 4.25Å; I515-F622 HydrophobicContact CG2-CZ 3.75Å; F526-F622 HydrophobicContact CE2-CE1 4.04Å; F526-F622 HydrophobicContact CE2-CZ 4.17Å; F526-F622 AromaticContact CZ-CE1 3.94Å; F526-F622 HydrophobicContact CZ-CE1 3.94Å; F526-F622 HydrophobicContact CZ-CZ 4.24Å; L565-F622 HydrophobicContact CD2-CE1 4.49Å; Y618-F622 PolarHBondContact O-N 3.04Å; Y618-F622 VanDerWaalsContact O-N 3.14Å; L619-F622 WeakPolarHBondContact O-CB 3.43Å; L619-F622 PolarHBondContact O-N 3.08Å; F622-N624 VanDerWaalsContact C-N 3.31Å; F622-N624 PolarHBondContact O-N 3.21Å; F622-H625 WeakPolarHBondContact O-CB 3.43Å; F622-H625 PolarHBondContact O-N 3.23Å; F622-H625 VanDerWaalsContact O-N 3.12Å; F622-L626 HydrophobicContact CE1-CD2 4.5Å; F622-L626 HydrophobicContact CZ-CD2 4.19Å; F622-L626 PolarHBondContact O-N 3.14Å; F622-Y690 HydrophobicContact CB-CD1 4.3Å; F622-Y690 HydrophobicContact CB-CD2 4.01Å; F622-Y690 HydrophobicContact CB-CE1 4.3Å; F622-Y690 HydrophobicContact CB-CE2 4.03Å; F622-Y690 HydrophobicContact CB-CG 4.15Å; F622-Y690 AromaticContact CD2-CE2 3.98Å; F622-Y690 HydrophobicContact CD2-CE2 3.98Å; F622-Y690 AromaticContact CD2-CZ 3.93Å; F622-Y690 HydrophobicContact CG-CE2 4.45Å
623L95.6Very high92.8Very high0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-63-37178.4-66.9177.4000112.2L619 F620 L626 S627 F644 I672L619-L623 HydrophobicContact CD1-CD1 4.23Å; L619-L623 HydrophobicContact CD1-CG 4.24Å; L619-L623 HydrophobicContact CG-CD1 4.09Å; L619-L623 HydrophobicContact CG-CG 4.44Å; L619-L623 WeakPolarHBondContact O-CG 3.41Å; L619-L623 PolarHBondContact O-N 3.41Å; F620-L623 HydrophobicContact CD1-CD1 4.32Å; F620-L623 HydrophobicContact CE1-CD1 4.46Å; L623-L626 PolarHBondContact O-N 3.13Å; L623-S627 WeakPolarHBondContact O-CB 3.47Å; L623-S627 PolarHBondContact O-N 2.82Å; L623-S627 PolarHBondContact O-OG 2.94Å; L623-F644 HydrophobicContact CD1-CD1 4.45Å; L623-F644 HydrophobicContact CD1-CD2 4.14Å; L623-F644 HydrophobicContact CD1-CE2 4.38Å; L623-F644 HydrophobicContact CD1-CG 4.17Å; L623-F644 HydrophobicContact CD2-CD2 3.93Å; L623-F644 HydrophobicContact CD2-CE2 3.5Å; L623-F644 VanDerWaalsContact CD2-CE2 3.5Å; L623-F644 HydrophobicContact CD2-CZ 3.93Å; L623-I672 HydrophobicContact CB-CD1 4.43Å; L623-I672 HydrophobicContact CB-CG1 4.13Å; L623-I672 HydrophobicContact CB-CG2 4.46Å; L623-I672 HydrophobicContact CD1-CD1 4.36Å; L623-I672 HydrophobicContact CD1-CG1 4.34Å
624N95.4Very high92.9Very high28 Ų2834.6 Ų34.615%0.1517%0.17CC..Hα-helixtrans-62-45.8171.8-176.4-82.6000111.5F620 F622 S627 Q628 I672 H675F620-N624 VanDerWaalsContact O-CB 3.32Å; F620-N624 WeakPolarHBondContact O-CB 3.36Å; F620-N624 PolarHBondContact O-N 3.29Å; F622-N624 VanDerWaalsContact C-N 3.31Å; F622-N624 PolarHBondContact O-N 3.21Å; N624-S627 PolarHBondContact O-N 3.38Å; N624-S627 PolarHBondContact O-OG 3.47Å; N624-Q628 PolarHBondContact O-N 3.25Å; N624-Q628 PolarHBondContact O-NE2 3.14Å; N624-Q628 PolarHBondContact OD1-NE2 3.32Å; N624-I672 HydrophobicContact CB-CG2 4.45Å; N624-I672 PolarHBondContact ND2-O 2.94Å; N624-H675 VanDerWaalsContact CB-CD2 3.43Å; N624-H675 WeakPolarHBondContact CB-CD2 3.47Å; N624-H675 VanDerWaalsContact CG-CD2 3.41Å; N624-H675 PolarHBondContact ND2-CD2 3.25Å
625H94.6Very high93.1Very high17 Ų1734 Ų348%0.07917%0.167CC..Hα-helixtrans-62.9-43.2177.1-175.9-137.4000112.4A621 F622 S627 Q628 F629 Y690A621-H625 PolarHBondContact O-N 2.91Å; A621-H625 VanDerWaalsContact O-N 3.08Å; F622-H625 WeakPolarHBondContact O-CB 3.43Å; F622-H625 PolarHBondContact O-N 3.23Å; F622-H625 VanDerWaalsContact O-N 3.12Å; H625-S627 VanDerWaalsContact C-N 3.31Å; H625-S627 PolarHBondContact O-N 3.4Å; H625-Q628 WeakPolarHBondContact O-CB 3.33Å; H625-Q628 PolarHBondContact O-N 2.9Å; H625-Q628 VanDerWaalsContact O-N 3.14Å; H625-F629 AromaticContact NE2-CE2 3.75Å; H625-F629 WeakPolarHBondContact O-CD2 3.32Å; H625-Y690 HydrophobicContact CB-CE1 3.73Å; H625-Y690 AromaticContact CG-CE1 3.97Å; H625-Y690 AromaticContact ND1-CE1 3.67Å; H625-Y690 AromaticContact ND1-CZ 3.69Å; H625-Y690 PolarHBondContact ND1-OH 3.25Å
626L93.8Very high93.2Very high0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-60.2-40.4175.6-176.867000112.2L520 I525 F526 F622 L623 Q628 F629 N633 L640L520-L626 HydrophobicContact CD2-CD1 3.82Å; I525-L626 HydrophobicContact CG2-CD1 4.15Å; I525-L626 HydrophobicContact CG2-CD2 4.19Å; F526-L626 HydrophobicContact CD2-CD2 3.84Å; F526-L626 HydrophobicContact CE2-CD2 3.56Å; F622-L626 HydrophobicContact CE1-CD2 4.5Å; F622-L626 HydrophobicContact CZ-CD2 4.19Å; F622-L626 PolarHBondContact O-N 3.14Å; L623-L626 PolarHBondContact O-N 3.13Å; L626-Q628 PolarHBondContact O-N 3.32Å; L626-F629 PolarHBondContact O-N 2.86Å; L626-F629 VanDerWaalsContact O-N 3.1Å; L626-N633 PolarHBondContact O-ND2 3.49Å; L626-L640 HydrophobicContact CD2-CD1 4.3Å; L626-L640 HydrophobicContact CD2-CD2 3.79Å; L626-L640 HydrophobicContact CG-CD1 4.49Å
627S94.8Very high93.3Very high12 Ų1237 Ų378%0.08419%0.185CC..Hα-helixtrans-66.9-14.2178.175.10000114.4L623 N624 H625 F629 S630L623-S627 WeakPolarHBondContact O-CB 3.47Å; L623-S627 PolarHBondContact O-N 2.82Å; L623-S627 PolarHBondContact O-OG 2.94Å; N624-S627 PolarHBondContact O-N 3.38Å; N624-S627 PolarHBondContact O-OG 3.47Å; H625-S627 VanDerWaalsContact C-N 3.31Å; H625-S627 PolarHBondContact O-N 3.4Å; S627-F629 PolarHBondContact O-N 2.98Å; S627-S630 WeakPolarHBondContact O-CB 3.33Å; S627-S630 PolarHBondContact O-N 3.36Å; S627-S630 PolarHBondContact O-OG 3.49Å
628Q93.1Very high93.3Very high93 Ų9341.2 Ų41.244%0.43520%0.202SC..THydrogen-bonded Turntrans-74.6-15.2173.8-65.8162.43600112.3N624 H625 L626 R692N624-Q628 PolarHBondContact O-N 3.25Å; N624-Q628 PolarHBondContact O-NE2 3.14Å; N624-Q628 PolarHBondContact OD1-NE2 3.32Å; H625-Q628 WeakPolarHBondContact O-CB 3.33Å; H625-Q628 PolarHBondContact O-N 2.9Å; H625-Q628 VanDerWaalsContact O-N 3.14Å; L626-Q628 PolarHBondContact O-N 3.32Å; Q628-R692 VanDerWaalsContact NE2-NH2 3.19Å
629F93.5Very high93.4Very high58 Ų5842.5 Ų42.525%0.25421%0.21SC..THydrogen-bonded Turntrans-100.519.8175.1-63.1-95.1000112.3L520 Q521 H625 L626 S627 E631 E632 N633L520-F629 HydrophobicContact CB-CD1 4.37Å; L520-F629 HydrophobicContact CB-CD2 4.08Å; L520-F629 HydrophobicContact CB-CE2 4.29Å; L520-F629 HydrophobicContact CB-CG 4.13Å; L520-F629 HydrophobicContact CD1-CD2 4.37Å; L520-F629 HydrophobicContact CD1-CE2 3.8Å; L520-F629 HydrophobicContact CD1-CZ 3.94Å; L520-F629 HydrophobicContact CD2-CD2 4.38Å; L520-F629 HydrophobicContact CD2-CE2 4.45Å; L520-F629 HydrophobicContact CG-CE2 4.41Å; L520-F629 VanDerWaalsContact O-CB 3.24Å; L520-F629 WeakPolarHBondContact O-CB 3.28Å; Q521-F629 HydrophobicContact CG-CD1 4.45Å; H625-F629 AromaticContact NE2-CE2 3.75Å; H625-F629 WeakPolarHBondContact O-CD2 3.32Å; L626-F629 PolarHBondContact O-N 2.86Å; L626-F629 VanDerWaalsContact O-N 3.1Å; S627-F629 PolarHBondContact O-N 2.98Å; F629-E631 PolarHBondContact O-N 3.5Å; F629-E631 VanDerWaalsContact O-N 3.1Å; F629-E632 PolarHBondContact O-N 3.48Å; F629-N633 VanDerWaalsContact O-CG 3.24Å; F629-N633 PolarHBondContact O-N 3.39Å; F629-N633 PolarHBondContact O-ND2 2.94Å; F629-N633 PolarHBondContact O-OD1 2.95Å
630S91.9Very high93.4Very high40 Ų4042.5 Ų42.528%0.2821%0.21SC..Hα-helixtrans-62.1-18.9-175.762.70000114.8S627 E632 N633 M634S627-S630 WeakPolarHBondContact O-CB 3.33Å; S627-S630 PolarHBondContact O-N 3.36Å; S627-S630 PolarHBondContact O-OG 3.49Å; S630-E632 VanDerWaalsContact C-N 3.28Å; S630-N633 WeakPolarHBondContact CA-OD1 3.48Å; S630-M634 WeakPolarHBondContact O-CA 3.35Å; S630-M634 PolarHBondContact O-N 2.98Å
631E88.3Confident93.4Very high185 Ų18542.5 Ų42.586%0.86421%0.21SC*.Hα-helixtrans-70-24.7172.9-61.7-171.4172.900112.8F629F629-E631 PolarHBondContact O-N 3.5Å; F629-E631 VanDerWaalsContact O-N 3.1Å
632E89.3Confident93.3Very high98 Ų9845.4 Ų45.446%0.45822%0.223SC..Hα-helixtrans-105.5-48.7179.9-59.4-171.5-114.600111.7Q521 F629 S630Q521-E632 HydrophobicContact CB-CB 4.38Å; Q521-E632 HydrophobicContact CG-CB 4.44Å; Q521-E632 VanDerWaalsContact CG-OE2 3.31Å; Q521-E632 WeakPolarHBondContact CG-OE2 3.22Å; Q521-E632 VanDerWaalsContact NE2-CD 3.28Å; Q521-E632 PolarHBondContact NE2-OE1 3.28Å; Q521-E632 PolarHBondContact NE2-OE2 3.37Å; F629-E632 PolarHBondContact O-N 3.48Å; S630-E632 VanDerWaalsContact C-N 3.28Å
633N92Very high93.3Very high0 Ų046.5 Ų46.50%023%0.231CC..Hα-helixtrans-84.9-6.1-176.169.233.7000114.2L520 H522 G524 I525 L626 F629 S630 M635L520-N633 WeakPolarHBondContact O-CB 3.45Å; L520-N633 PolarHBondContact O-ND2 3Å; H522-N633 WeakPolarHBondContact O-CB 3.41Å; G524-N633 PolarHBondContact N-O 2.97Å; I525-N633 HydrophobicContact CG2-CB 4.38Å; L626-N633 PolarHBondContact O-ND2 3.49Å; F629-N633 VanDerWaalsContact O-CG 3.24Å; F629-N633 PolarHBondContact O-N 3.39Å; F629-N633 PolarHBondContact O-ND2 2.94Å; F629-N633 PolarHBondContact O-OD1 2.95Å; S630-N633 WeakPolarHBondContact CA-OD1 3.48Å; N633-M635 WeakPolarHBondContact O-CG 3.25Å; N633-M635 PolarHBondContact O-N 3.17Å; N633-M635 VanDerWaalsContact O-N 3.15Å; N633-M635 WeakPolarHBondContact OD1-CA 3.29Å; N633-M635 WeakPolarHBondContact OD1-CB 3.42Å; N633-M635 PolarHBondContact OD1-N 2.99Å
634M91.9Very high93.2Very high105 Ų10546.5 Ų46.552%0.51723%0.231SC..  trans61.713.7-179-55.4-67.3-82.900115.3E523 S630 N639E523-M634 HydrophobicContact CG-CB 4.38Å; E523-M634 HydrophobicContact CG-CG 3.96Å; S630-M634 WeakPolarHBondContact O-CA 3.35Å; S630-M634 PolarHBondContact O-N 2.98Å; M634-N639 PolarHBondContact O-ND2 3.26Å
635M93.4Very high93Very high0 Ų045.2 Ų45.20%022%0.224CC..  trans-112.581.8-175.3-65-60.4-66.200111.9I525 R527 N633 N639 L640I525-M635 HydrophobicContact CG2-CG 4.23Å; I525-M635 WeakPolarHBondContact O-CE 3.48Å; I525-M635 WeakPolarHBondContact O-CG 3.15Å; R527-M635 HydrophobicContact CB-CE 3.94Å; R527-M635 HydrophobicContact CB-SD 3.76Å; N633-M635 WeakPolarHBondContact O-CG 3.25Å; N633-M635 PolarHBondContact O-N 3.17Å; N633-M635 VanDerWaalsContact O-N 3.15Å; N633-M635 WeakPolarHBondContact OD1-CA 3.29Å; N633-M635 WeakPolarHBondContact OD1-CB 3.42Å; N633-M635 PolarHBondContact OD1-N 2.99Å; M635-N639 HydrophobicContact CE-CB 3.81Å; M635-N639 HydrophobicContact SD-CB 3.96Å; M635-L640 HydrophobicContact CB-CD2 3.94Å; M635-L640 HydrophobicContact CB-CG 4.08Å; M635-L640 HydrophobicContact CE-CD2 3.9Å; M635-L640 HydrophobicContact CE-CG 4.36Å
636D93.8Very high92.7Very high63 Ų6347.3 Ų47.334%0.33724%0.239SC..  trans-67.3171.3171.584.81.1000112.5Y638 N639 L640D636-Y638 PolarHBondContact O-N 3.01Å; D636-Y638 VanDerWaalsContact O-N 3.09Å; D636-Y638 WeakPolarHBondContact OD1-CA 3.43Å; D636-Y638 WeakPolarHBondContact OD1-CB 3.47Å; D636-Y638 PolarHBondContact OD1-N 3.07Å; D636-N639 PolarHBondContact O-N 2.75Å; D636-N639 PolarHBondContact OD1-N 3.28Å; D636-L640 WeakPolarHBondContact O-CG 3.39Å; D636-L640 PolarHBondContact O-N 2.76Å
637P94.1Very high92.4Very high30 Ų3048.1 Ų48.120%0.19525%0.245CC..Hα-helixtrans-59.1-20.9179.4-25.634.8000115.2A641 K669 I672 I673P637-A641 VanDerWaalsContact O-CB 3.29Å; P637-A641 WeakPolarHBondContact O-CB 3.46Å; P637-A641 PolarHBondContact O-N 3.02Å; P637-K669 HydrophobicContact CB-CG 4.46Å; P637-I672 HydrophobicContact CB-CG2 4.04Å; P637-I673 HydrophobicContact CB-CD1 4.24Å; P637-I673 HydrophobicContact CB-CG1 3.94Å; P637-I673 HydrophobicContact CG-CG1 4.22Å
638Y92.9Very high92.2Very high104 Ų10447.7 Ų47.741%0.40824%0.242SC..Hα-helixtrans-84.4-44177.8-178.7-112000111.3D636 L640 A641 I642 K669D636-Y638 PolarHBondContact O-N 3.01Å; D636-Y638 VanDerWaalsContact O-N 3.09Å; D636-Y638 WeakPolarHBondContact OD1-CA 3.43Å; D636-Y638 WeakPolarHBondContact OD1-CB 3.47Å; D636-Y638 PolarHBondContact OD1-N 3.07Å; Y638-L640 VanDerWaalsContact C-N 3.35Å; Y638-L640 PolarHBondContact O-N 3.02Å; Y638-A641 WeakPolarHBondContact O-CB 3.48Å; Y638-A641 PolarHBondContact O-N 2.91Å; Y638-A641 VanDerWaalsContact O-N 3.1Å; Y638-I642 HydrophobicContact CD1-CD1 3.94Å; Y638-I642 HydrophobicContact CE1-CD1 3.55Å; Y638-I642 HydrophobicContact CE1-CG1 4.42Å; Y638-I642 WeakPolarHBondContact O-CG1 3.37Å; Y638-I642 PolarHBondContact O-N 2.89Å; Y638-K669 HydrophobicContact CD2-CD 3.86Å; Y638-K669 HydrophobicContact CG-CD 4.42Å
639N94.4Very high91.9Very high49 Ų4943.5 Ų43.526%0.26222%0.222SC..Hα-helixtrans-60-44.7173.5-70.3-13.5000110.8M634 M635 D636 A641 I642 C643M634-N639 PolarHBondContact O-ND2 3.26Å; M635-N639 HydrophobicContact CE-CB 3.81Å; M635-N639 HydrophobicContact SD-CB 3.96Å; D636-N639 PolarHBondContact O-N 2.75Å; D636-N639 PolarHBondContact OD1-N 3.28Å; N639-A641 VanDerWaalsContact C-N 3.32Å; N639-A641 PolarHBondContact O-N 3.43Å; N639-I642 PolarHBondContact O-N 3.18Å; N639-C643 PolarHBondContact O-N 3.22Å; N639-C643 VanDerWaalsContact O-N 3.15Å; N639-C643 PolarHBondContact O-SG 3.06Å; N639-C643 VanDerWaalsContact O-SG 3.32Å
640L94.9Very high91.3Very high0 Ų044.2 Ų44.20%023%0.234CC..Hα-helixtrans-61.8-39172.8-69.1172.9000112.1F526 L626 M635 D636 Y638 C643 F644 I672F526-L640 HydrophobicContact CD2-CD2 4.18Å; L626-L640 HydrophobicContact CD2-CD1 4.3Å; L626-L640 HydrophobicContact CD2-CD2 3.79Å; L626-L640 HydrophobicContact CG-CD1 4.49Å; M635-L640 HydrophobicContact CB-CD2 3.94Å; M635-L640 HydrophobicContact CB-CG 4.08Å; M635-L640 HydrophobicContact CE-CD2 3.9Å; M635-L640 HydrophobicContact CE-CG 4.36Å; D636-L640 WeakPolarHBondContact O-CG 3.39Å; D636-L640 PolarHBondContact O-N 2.76Å; Y638-L640 VanDerWaalsContact C-N 3.35Å; Y638-L640 PolarHBondContact O-N 3.02Å; L640-C643 PolarHBondContact O-N 3.35Å; L640-F644 WeakPolarHBondContact O-CB 3.42Å; L640-F644 PolarHBondContact O-N 3.49Å; L640-I672 HydrophobicContact CB-CD1 4.07Å
641A94.4Very high90.7Very high0 Ų043.6 Ų43.60%023%0.229CC..Hα-helixtrans-67.6-34.4177.200000113.4P637 Y638 N639 G645 N665 I668 K669 I672P637-A641 VanDerWaalsContact O-CB 3.29Å; P637-A641 WeakPolarHBondContact O-CB 3.46Å; P637-A641 PolarHBondContact O-N 3.02Å; Y638-A641 WeakPolarHBondContact O-CB 3.48Å; Y638-A641 PolarHBondContact O-N 2.91Å; Y638-A641 VanDerWaalsContact O-N 3.1Å; N639-A641 VanDerWaalsContact C-N 3.32Å; N639-A641 PolarHBondContact O-N 3.43Å; A641-G645 VanDerWaalsContact O-CA 3.32Å; A641-G645 WeakPolarHBondContact O-CA 3.2Å; A641-G645 PolarHBondContact O-N 2.96Å; A641-N665 VanDerWaalsContact CB-O 3.29Å; A641-N665 WeakPolarHBondContact CB-O 3.41Å; A641-I668 HydrophobicContact CB-CB 4.01Å; A641-I668 HydrophobicContact CB-CG2 3.79Å; A641-K669 HydrophobicContact CB-CB 3.85Å; A641-I672 HydrophobicContact CB-CD1 4.35Å
642I92.7Very high90.1Very high71 Ų7135.8 Ų35.836%0.36419%0.194SC..Hα-helixtrans-62.8-43.6171.1-69.1165.1000110.6Y638 N639 P646Y638-I642 HydrophobicContact CD1-CD1 3.94Å; Y638-I642 HydrophobicContact CE1-CD1 3.55Å; Y638-I642 HydrophobicContact CE1-CG1 4.42Å; Y638-I642 WeakPolarHBondContact O-CG1 3.37Å; Y638-I642 PolarHBondContact O-N 2.89Å; N639-I642 PolarHBondContact O-N 3.18Å; I642-P646 WeakPolarHBondContact O-CD 3.26Å
643C94.1Very high89Confident24 Ų2439.3 Ų39.316%0.16221%0.211CC..Hα-helixtrans-72.4-37.2-178.1-62.60000113.4F526 N639 L640F526-C643 HydrophobicContact CB-CB 4.21Å; N639-C643 PolarHBondContact O-N 3.22Å; N639-C643 VanDerWaalsContact O-N 3.15Å; N639-C643 PolarHBondContact O-SG 3.06Å; N639-C643 VanDerWaalsContact O-SG 3.32Å; L640-C643 PolarHBondContact O-N 3.35Å
644F93.9Very high87.7Confident0 Ų043.2 Ų43.20%025%0.25CS..Hα-helixtrans-91-27.1-178.9-86.6-87.2000114.3F526 K566 L619 L623 L640 S647 L648F526-F644 HydrophobicContact CB-CE2 4.17Å; F526-F644 AromaticContact CD1-CE2 3.61Å; F526-F644 HydrophobicContact CD1-CE2 3.61Å; F526-F644 AromaticContact CD1-CZ 3.65Å; F526-F644 HydrophobicContact CD1-CZ 3.65Å; F526-F644 AromaticContact CD2-CE2 3.88Å; F526-F644 HydrophobicContact CD2-CE2 3.88Å; F526-F644 HydrophobicContact CD2-CZ 4.47Å; F526-F644 AromaticContact CE1-CE2 3.88Å; F526-F644 HydrophobicContact CE1-CE2 3.88Å; F526-F644 AromaticContact CE1-CZ 3.53Å; F526-F644 HydrophobicContact CE1-CZ 3.53Å; F526-F644 HydrophobicContact CE2-CE2 4.12Å; F526-F644 HydrophobicContact CE2-CZ 4.36Å; F526-F644 AromaticContact CG-CE2 3.61Å; F526-F644 HydrophobicContact CG-CE2 3.61Å; F526-F644 HydrophobicContact CG-CZ 4.14Å; F526-F644 HydrophobicContact CZ-CE2 4.12Å; F526-F644 AromaticContact CZ-CZ 3.91Å; F526-F644 HydrophobicContact CZ-CZ 3.91Å; K566-F644 HydrophobicContact CG-CE1 4.28Å; K566-F644 HydrophobicContact CG-CZ 4.23Å; L619-F644 HydrophobicContact CD1-CE1 4.26Å; L623-F644 HydrophobicContact CD1-CD1 4.45Å; L623-F644 HydrophobicContact CD1-CD2 4.14Å; L623-F644 HydrophobicContact CD1-CE2 4.38Å; L623-F644 HydrophobicContact CD1-CG 4.17Å; L623-F644 HydrophobicContact CD2-CD2 3.93Å; L623-F644 HydrophobicContact CD2-CE2 3.5Å; L623-F644 VanDerWaalsContact CD2-CE2 3.5Å; L623-F644 HydrophobicContact CD2-CZ 3.93Å; L640-F644 WeakPolarHBondContact O-CB 3.42Å; L640-F644 PolarHBondContact O-N 3.49Å; F644-S647 CarbonylContact O-C 3.52Å; F644-S647 WeakPolarHBondContact O-CA 3.49Å; F644-S647 WeakPolarHBondContact O-CB 3.4Å; F644-S647 PolarHBondContact O-N 3.39Å; F644-L648 HydrophobicContact CB-CD1 3.89Å; F644-L648 HydrophobicContact CB-CG 4.26Å; F644-L648 HydrophobicContact CD1-CD1 4.07Å; F644-L648 HydrophobicContact CD1-CD2 4.42Å; F644-L648 HydrophobicContact CD1-CG 4.14Å; F644-L648 HydrophobicContact CG-CD1 4.41Å; F644-L648 WeakPolarHBondContact O-CB 3.24Å; F644-L648 WeakPolarHBondContact O-CG 3.26Å; F644-L648 PolarHBondContact O-N 2.95Å
645G90.6Very high86.7Confident0 Ų042 Ų420%024%0.243CC..Hα-helixtrans-49.2-60.7-176.500000113.7A641 S647 L648 M649A641-G645 VanDerWaalsContact O-CA 3.32Å; A641-G645 WeakPolarHBondContact O-CA 3.2Å; A641-G645 PolarHBondContact O-N 2.96Å; G645-S647 PolarHBondContact O-N 3.27Å; G645-S647 VanDerWaalsContact O-N 3.16Å; G645-L648 PolarHBondContact O-N 3.01Å; G645-M649 PolarHBondContact O-N 2.94Å; G645-M649 VanDerWaalsContact O-O 3.13Å
646P88.3Confident86Confident61 Ų6146.6 Ų46.640%0.39627%0.268SS..Hα-helixtrans-61.4-23.2177.6-22.533.1000114.5I642I642-P646 WeakPolarHBondContact O-CD 3.26Å
647S88.3Confident85.2Confident18 Ų1850.8 Ų50.813%0.12629%0.286CS..Hα-helixtrans-88-22-178.6-54.80000113.3F569 R570 F644 G645F569-S647 CarbonylContact C-O 3.27Å; R570-S647 PolarHBondContact N-O 3.29Å; F644-S647 CarbonylContact O-C 3.52Å; F644-S647 WeakPolarHBondContact O-CA 3.49Å; F644-S647 WeakPolarHBondContact O-CB 3.4Å; F644-S647 PolarHBondContact O-N 3.39Å; G645-S647 PolarHBondContact O-N 3.27Å; G645-S647 VanDerWaalsContact O-N 3.16Å
648L89.8Confident84.3Confident3 Ų355 Ų552%0.01631%0.311CS..Hα-helixtrans-103-32.1-178.6-65.9-179.5000112.9F569 L576 F577 L619 F620 F644 G645 I668F569-L648 HydrophobicContact CB-CD2 3.87Å; F569-L648 HydrophobicContact CD1-CD2 4.15Å; F569-L648 HydrophobicContact CD2-CD2 4.32Å; F569-L648 HydrophobicContact CG-CD2 3.86Å; L576-L648 HydrophobicContact CB-CD2 4.42Å; L576-L648 HydrophobicContact CD2-CD2 3.86Å; F577-L648 HydrophobicContact CD2-CB 3.98Å; F577-L648 WeakPolarHBondContact CD2-O 3.17Å; F577-L648 HydrophobicContact CE2-CB 4.03Å; F577-L648 HydrophobicContact CE2-CD1 4.34Å; F577-L648 PolarHBondContact N-O 3.48Å; L619-L648 HydrophobicContact CD2-CD1 4.1Å; L619-L648 HydrophobicContact CD2-CD2 3.86Å; F620-L648 HydrophobicContact CZ-CD1 3.91Å; F644-L648 HydrophobicContact CB-CD1 3.89Å; F644-L648 HydrophobicContact CB-CG 4.26Å; F644-L648 HydrophobicContact CD1-CD1 4.07Å; F644-L648 HydrophobicContact CD1-CD2 4.42Å; F644-L648 HydrophobicContact CD1-CG 4.14Å; F644-L648 HydrophobicContact CG-CD1 4.41Å; F644-L648 WeakPolarHBondContact O-CB 3.24Å; F644-L648 WeakPolarHBondContact O-CG 3.26Å; F644-L648 PolarHBondContact O-N 2.95Å; G645-L648 PolarHBondContact O-N 3.01Å; L648-I668 HydrophobicContact CB-CD1 4.4Å; L648-I668 HydrophobicContact CD1-CD1 4.16Å
649M86.4Confident83.5Confident4 Ų452.9 Ų52.92%0.0231%0.311CS..  trans-144.8108.1-176.7-178.9-177.3-73.300110F577 F582 L585 G645 V664 L667F577-M649 HydrophobicContact CB-CB 4.19Å; F577-M649 HydrophobicContact CB-CE 3.57Å; F577-M649 HydrophobicContact CB-CG 4.4Å; F577-M649 HydrophobicContact CD1-CE 3.64Å; F577-M649 HydrophobicContact CE1-CE 4.45Å; F577-M649 HydrophobicContact CG-CE 3.69Å; F582-M649 HydrophobicContact CD2-CG 3.81Å; F582-M649 HydrophobicContact CD2-SD 3.55Å; F582-M649 VanDerWaalsContact CD2-SD 3.55Å; F582-M649 HydrophobicContact CE2-CG 3.99Å; F582-M649 HydrophobicContact CE2-SD 3.7Å; L585-M649 HydrophobicContact CB-CE 4.47Å; L585-M649 HydrophobicContact CD1-CE 3.51Å; G645-M649 PolarHBondContact O-N 2.94Å; G645-M649 VanDerWaalsContact O-O 3.13Å; M649-V664 HydrophobicContact CB-CG1 4.15Å; M649-V664 HydrophobicContact CG-CG1 4.44Å; M649-V664 HydrophobicContact CG-CG2 4.4Å; M649-V664 HydrophobicContact SD-CG1 4.22Å; M649-V664 HydrophobicContact SD-CG2 3.84Å; M649-L667 HydrophobicContact CE-CD2 3.64Å; M649-L667 HydrophobicContact SD-CD2 4.03Å
650S81.1Confident83Confident73 Ų7351.5 Ų51.551%0.5131%0.305SS..PPolyproline II helixtrans-81.5135.1171.4-47.90000110.5
651V79.4Confident82.6Confident27 Ų2753.5 Ų53.516%0.16431%0.314CS..PPolyproline II helixtrans-62.7130.3172.3-179.80000109.2F582 H655 C660 V664F582-V651 HydrophobicContact CZ-CG1 4.27Å; F582-V651 HydrophobicContact CZ-CG2 4.46Å; V651-H655 HydrophobicContact CG1-CB 4.02Å; V651-C660 HydrophobicContact CB-CB 4.45Å; V651-C660 HydrophobicContact CG1-CB 3.63Å; V651-C660 HydrophobicContact CG2-CB 3.86Å; V651-V664 HydrophobicContact CG2-CG2 4.33Å
652P77.2Confident82.3Confident22 Ų2256.2 Ų56.214%0.14334%0.336CS..PPolyproline II helixtrans-62.3147.8175.3-24.234.9000113.3F582F582-P652 HydrophobicContact CB-CG 4.25Å; F582-P652 HydrophobicContact CD1-CG 3.69Å; F582-P652 HydrophobicContact CD2-CG 4.24Å; F582-P652 VanDerWaalsContact CE1-CD 3.45Å; F582-P652 HydrophobicContact CE1-CG 4.06Å; F582-P652 HydrophobicContact CG-CG 3.8Å; F582-P652 VanDerWaalsContact CZ-CD 3.49Å; F582-P652 HydrophobicContact CZ-CG 4.49Å
653E66.1Low82.1Confident172 Ų17255.7 Ų55.780%0.80433%0.332SS*.THydrogen-bonded Turntrans-58136.7172.6-66.6136.3-118.300110.9K579K579-E653 IonicContact NZ-OE1 3.66Å; K579-E653 PolarHBondContact NZ-OE1 3.16Å
654G64Low82Confident81 Ų8154.6 Ų54.684%0.83533%0.325SS*.THydrogen-bonded Turntrans94.59.3-17600000115.8
655H71.4Confident81.9Confident79 Ų7955.3 Ų55.337%0.36633%0.328SS..SBendtrans-121.2149.5172.1-72.7-25.1000112.4H583 V651 Q657H583-H655 AromaticContact CE1-NE2 3.2Å; H583-H655 PolarHBondContact CE1-NE2 3.21Å; H583-H655 AromaticContact ND1-NE2 3.93Å; V651-H655 HydrophobicContact CG1-CB 4.02Å; H655-Q657 PolarHBondContact O-N 2.98Å
656D77.8Confident82Confident97 Ų9757.6 Ų57.652%0.51934%0.339SS..  trans-61.2110.7174.6170.536.9000109.9V658 S659 C660D656-V658 PolarHBondContact O-N 3.33Å; D656-V658 PolarHBondContact OD1-N 3.29Å; D656-S659 WeakPolarHBondContact OD2-CA 3.28Å; D656-S659 WeakPolarHBondContact OD2-CB 3.5Å; D656-S659 PolarHBondContact OD2-N 3.46Å; D656-C660 WeakPolarHBondContact O-CB 3.5Å; D656-C660 PolarHBondContact O-N 2.87Å; D656-C660 PolarHBondContact O-SG 3.12Å
657Q77.1Confident82.2Confident152 Ų15254.7 Ų54.771%0.7132%0.32SS*.Hα-helixtrans-60.5-36.4-176.1-62.4-176.216.200111.2H655 Q661H655-Q657 PolarHBondContact O-N 2.98Å; Q657-Q661 WeakPolarHBondContact O-CB 3.46Å; Q657-Q661 PolarHBondContact O-N 2.87Å
658V76.3Confident82.5Confident119 Ų11953.8 Ų53.872%0.72131%0.314SS*.Hα-helixtrans-72.1-52.2-174-1760000111.1D656 A662D656-V658 PolarHBondContact O-N 3.33Å; D656-V658 PolarHBondContact OD1-N 3.29Å; V658-A662 PolarHBondContact O-N 2.61Å
659S76Confident82.8Confident58 Ų5856.2 Ų56.241%0.40632%0.324SS..Hα-helixtrans-65-42.9176.3-177.60000111.9D656 Q661 A662 H663D656-S659 WeakPolarHBondContact OD2-CA 3.28Å; D656-S659 WeakPolarHBondContact OD2-CB 3.5Å; D656-S659 PolarHBondContact OD2-N 3.46Å; S659-Q661 PolarHBondContact O-N 2.66Å; S659-A662 WeakPolarHBondContact O-CB 3.4Å; S659-A662 PolarHBondContact O-N 3.34Å; S659-H663 PolarHBondContact O-N 3.03Å; S659-H663 PolarHBondContact O-ND1 3.25Å
660C83.6Confident83.1Confident20 Ų2056 Ų5614%0.13532%0.324CS..Hα-helixtrans-67.5-37.3-179-64.40000112.1F582 V651 D656 A662 H663 V664F582-C660 HydrophobicContact CZ-CB 4.49Å; V651-C660 HydrophobicContact CB-CB 4.45Å; V651-C660 HydrophobicContact CG1-CB 3.63Å; V651-C660 HydrophobicContact CG2-CB 3.86Å; D656-C660 WeakPolarHBondContact O-CB 3.5Å; D656-C660 PolarHBondContact O-N 2.87Å; D656-C660 PolarHBondContact O-SG 3.12Å; C660-A662 VanDerWaalsContact C-N 3.28Å; C660-A662 PolarHBondContact O-N 3.38Å; C660-H663 PolarHBondContact O-N 3.34Å; C660-H663 VanDerWaalsContact O-N 3.12Å; C660-V664 WeakPolarHBondContact O-CG2 3.4Å; C660-V664 PolarHBondContact O-N 2.99Å
661Q86.6Confident83.7Confident43 Ų4352.6 Ų52.620%0.20130%0.299CS..Hα-helixtrans-63.7-34.2176.8-168.161.955.700112.1Q657 S659 H663 V664 N665Q657-Q661 WeakPolarHBondContact O-CB 3.46Å; Q657-Q661 PolarHBondContact O-N 2.87Å; S659-Q661 PolarHBondContact O-N 2.66Å; Q661-H663 VanDerWaalsContact C-N 3.34Å; Q661-H663 PolarHBondContact O-N 3.43Å; Q661-V664 PolarHBondContact O-N 3.21Å; Q661-N665 PolarHBondContact NE2-OD1 2.92Å; Q661-N665 WeakPolarHBondContact O-CB 3.27Å; Q661-N665 PolarHBondContact O-N 3.38Å; Q661-N665 PolarHBondContact O-ND2 2.96Å; Q661-N665 PolarHBondContact O-OD1 2.63Å
662A87.3Confident84.5Confident56 Ų5651.3 Ų51.346%0.46329%0.292SS..Hα-helixtrans-61.6-41.817300000112V658 S659 C660 N665 E666V658-A662 PolarHBondContact O-N 2.61Å; S659-A662 WeakPolarHBondContact O-CB 3.4Å; S659-A662 PolarHBondContact O-N 3.34Å; C660-A662 VanDerWaalsContact C-N 3.28Å; C660-A662 PolarHBondContact O-N 3.38Å; A662-N665 PolarHBondContact O-N 3.35Å; A662-E666 PolarHBondContact O-N 2.98Å
663H89.6Confident85.2Confident61 Ų6153.5 Ų53.528%0.28230%0.302SS..Hα-helixtrans-68.3-39175.4-65.884.1000112.3I586 V589 S659 C660 Q661 E666 L667I586-H663 HydrophobicContact CD1-CB 3.85Å; I586-H663 HydrophobicContact CG2-CB 4.16Å; V589-H663 HydrophobicContact CG1-CB 4.42Å; S659-H663 PolarHBondContact O-N 3.03Å; S659-H663 PolarHBondContact O-ND1 3.25Å; C660-H663 PolarHBondContact O-N 3.34Å; C660-H663 VanDerWaalsContact O-N 3.12Å; Q661-H663 VanDerWaalsContact C-N 3.34Å; Q661-H663 PolarHBondContact O-N 3.43Å; H663-E666 PolarHBondContact O-N 3.4Å; H663-L667 WeakPolarHBondContact O-CB 3.41Å; H663-L667 PolarHBondContact O-N 2.98Å
664V91.3Very high86.5Confident0 Ų046.5 Ų46.50%027%0.269CS..Hα-helixtrans-60.7-44.1173172.80000110.9F582 I586 M649 V651 C660 Q661 L667 I668F582-V664 HydrophobicContact CE2-CG2 3.88Å; F582-V664 HydrophobicContact CZ-CG2 4.34Å; I586-V664 HydrophobicContact CD1-CG2 3.95Å; M649-V664 HydrophobicContact CB-CG1 4.15Å; M649-V664 HydrophobicContact CG-CG1 4.44Å; M649-V664 HydrophobicContact CG-CG2 4.4Å; M649-V664 HydrophobicContact SD-CG1 4.22Å; M649-V664 HydrophobicContact SD-CG2 3.84Å; V651-V664 HydrophobicContact CG2-CG2 4.33Å; C660-V664 WeakPolarHBondContact O-CG2 3.4Å; C660-V664 PolarHBondContact O-N 2.99Å; Q661-V664 PolarHBondContact O-N 3.21Å; V664-L667 WeakPolarHBondContact O-CB 3.47Å; V664-L667 PolarHBondContact O-N 3.4Å; V664-I668 HydrophobicContact CG1-CG1 4.31Å; V664-I668 VanDerWaalsContact O-CG1 3.28Å; V664-I668 WeakPolarHBondContact O-CG1 3.37Å; V664-I668 PolarHBondContact O-N 2.9Å
665N92.3Very high87.8Confident15 Ų1544 Ų448%0.0824%0.235CC..Hα-helixtrans-64.6-43.4179.1-63.9-8.6000111.3A641 Q661 A662 L667 I668 K669A641-N665 VanDerWaalsContact CB-O 3.29Å; A641-N665 WeakPolarHBondContact CB-O 3.41Å; Q661-N665 PolarHBondContact NE2-OD1 2.92Å; Q661-N665 WeakPolarHBondContact O-CB 3.27Å; Q661-N665 PolarHBondContact O-N 3.38Å; Q661-N665 PolarHBondContact O-ND2 2.96Å; Q661-N665 PolarHBondContact O-OD1 2.63Å; A662-N665 PolarHBondContact O-N 3.35Å; N665-L667 PolarHBondContact O-N 2.88Å; N665-I668 PolarHBondContact O-N 3.11Å; N665-K669 VanDerWaalsContact O-CB 3.26Å; N665-K669 WeakPolarHBondContact O-CB 3.47Å; N665-K669 PolarHBondContact O-N 3.26Å
666E91.5Very high88.6Confident48 Ų4846.4 Ų46.422%0.22425%0.247CC..Hα-helixtrans-67.3-33.5176.5-178.860.9-163.100112.7V589 R597 A662 H663 K669 T670V589-E666 HydrophobicContact CG1-CB 4Å; V589-E666 HydrophobicContact CG1-CG 3.77Å; R597-E666 IonicContact CZ-OE1 3.23Å; R597-E666 IonicContact NH1-OE1 2.79Å; R597-E666 PolarHBondContact NH1-OE1 3.33Å; A662-E666 PolarHBondContact O-N 2.98Å; H663-E666 PolarHBondContact O-N 3.4Å; E666-K669 IonicContact OE1-NZ 2.72Å; E666-K669 WeakPolarHBondContact OE2-CD 3.4Å; E666-K669 WeakPolarHBondContact OE2-CE 3.22Å; E666-K669 IonicContact OE2-NZ 3.51Å; E666-K669 PolarHBondContact OE2-NZ 3.44Å; E666-T670 WeakPolarHBondContact O-CB 3.46Å; E666-T670 PolarHBondContact O-N 2.9Å; E666-T670 PolarHBondContact O-OG1 2.93Å
667L93.5Very high89.2Confident0 Ų045.9 Ų45.90%024%0.244CC..Hα-helixtrans-62.7-53.1170.6175.769.3000111.4L585 V589 I601 M649 H663 V664 N665 K669 T670 I671L585-L667 HydrophobicContact CB-CD1 4.37Å; L585-L667 HydrophobicContact CB-CD2 3.77Å; L585-L667 HydrophobicContact CD1-CD2 4.26Å; L585-L667 HydrophobicContact CD2-CD1 4.5Å; L585-L667 HydrophobicContact CG-CD2 4.5Å; V589-L667 HydrophobicContact CG2-CB 3.78Å; V589-L667 HydrophobicContact CG2-CD1 4.28Å; I601-L667 HydrophobicContact CD1-CD1 3.64Å; I601-L667 HydrophobicContact CG1-CD1 3.93Å; M649-L667 HydrophobicContact CE-CD2 3.64Å; M649-L667 HydrophobicContact SD-CD2 4.03Å; H663-L667 WeakPolarHBondContact O-CB 3.41Å; H663-L667 PolarHBondContact O-N 2.98Å; V664-L667 WeakPolarHBondContact O-CB 3.47Å; V664-L667 PolarHBondContact O-N 3.4Å; N665-L667 PolarHBondContact O-N 2.88Å; L667-K669 VanDerWaalsContact C-N 3.34Å; L667-K669 PolarHBondContact O-N 3.38Å; L667-T670 WeakPolarHBondContact O-CA 3.37Å; L667-T670 VanDerWaalsContact O-CB 3.3Å; L667-T670 WeakPolarHBondContact O-CB 3.4Å; L667-T670 PolarHBondContact O-N 3.49Å; L667-T670 VanDerWaalsContact O-N 3.08Å; L667-I671 HydrophobicContact CD1-CD1 4.18Å; L667-I671 HydrophobicContact CG-CD1 4.06Å; L667-I671 WeakPolarHBondContact O-CG1 3.25Å; L667-I671 PolarHBondContact O-N 3.32Å
668I94.9Very high89.9Confident0 Ų038.8 Ų38.80%021%0.211CC..Hα-helixtrans-63.6-41.1-177.5-66.3-67.4000110.6F577 F620 A641 L648 V664 N665 T670 I671 I672F577-I668 HydrophobicContact CE2-CD1 3.88Å; F577-I668 HydrophobicContact CZ-CD1 3.97Å; F620-I668 HydrophobicContact CE1-CG2 4.15Å; F620-I668 HydrophobicContact CZ-CD1 4.03Å; A641-I668 HydrophobicContact CB-CB 4.01Å; A641-I668 HydrophobicContact CB-CG2 3.79Å; L648-I668 HydrophobicContact CB-CD1 4.4Å; L648-I668 HydrophobicContact CD1-CD1 4.16Å; V664-I668 HydrophobicContact CG1-CG1 4.31Å; V664-I668 VanDerWaalsContact O-CG1 3.28Å; V664-I668 WeakPolarHBondContact O-CG1 3.37Å; V664-I668 PolarHBondContact O-N 2.9Å; N665-I668 PolarHBondContact O-N 3.11Å; I668-T670 PolarHBondContact O-N 3.01Å; I668-I671 PolarHBondContact O-N 2.97Å; I668-I671 VanDerWaalsContact O-N 3.15Å; I668-I672 HydrophobicContact CG2-CD1 4.09Å; I668-I672 WeakPolarHBondContact O-CG1 3.49Å; I668-I672 PolarHBondContact O-N 2.87Å
669K94.4Very high90.6Very high53 Ų5333.4 Ų33.423%0.2318%0.178CC..Hα-helixtrans-57.4-45.6169.8169.5-177.6154.6-152.40112.1P637 Y638 A641 N665 E666 L667 I671 I672 I673P637-K669 HydrophobicContact CB-CG 4.46Å; Y638-K669 HydrophobicContact CD2-CD 3.86Å; Y638-K669 HydrophobicContact CG-CD 4.42Å; A641-K669 HydrophobicContact CB-CB 3.85Å; N665-K669 VanDerWaalsContact O-CB 3.26Å; N665-K669 WeakPolarHBondContact O-CB 3.47Å; N665-K669 PolarHBondContact O-N 3.26Å; E666-K669 IonicContact OE1-NZ 2.72Å; E666-K669 WeakPolarHBondContact OE2-CD 3.4Å; E666-K669 WeakPolarHBondContact OE2-CE 3.22Å; E666-K669 IonicContact OE2-NZ 3.51Å; E666-K669 PolarHBondContact OE2-NZ 3.44Å; L667-K669 VanDerWaalsContact C-N 3.34Å; L667-K669 PolarHBondContact O-N 3.38Å; K669-I671 VanDerWaalsContact C-N 3.28Å; K669-I671 PolarHBondContact O-N 3.26Å; K669-I672 PolarHBondContact O-N 3.48Å; K669-I673 HydrophobicContact CG-CD1 3.79Å; K669-I673 WeakPolarHBondContact O-CG1 3.38Å; K669-I673 PolarHBondContact O-N 3.44Å
670T93.1Very high91.1Very high1 Ų131.1 Ų31.11%0.00616%0.161CC..Hα-helixtrans-57.4-43.1175-61.10000110.8L594 R597 I601 E666 L667 I668 I673 Q674L594-T670 HydrophobicContact CD1-CG2 3.86Å; R597-T670 HydrophobicContact CG-CG2 4.15Å; R597-T670 PolarHBondContact NH1-OG1 3.16Å; I601-T670 HydrophobicContact CD1-CG2 3.63Å; E666-T670 WeakPolarHBondContact O-CB 3.46Å; E666-T670 PolarHBondContact O-N 2.9Å; E666-T670 PolarHBondContact O-OG1 2.93Å; L667-T670 WeakPolarHBondContact O-CA 3.37Å; L667-T670 VanDerWaalsContact O-CB 3.3Å; L667-T670 WeakPolarHBondContact O-CB 3.4Å; L667-T670 PolarHBondContact O-N 3.49Å; L667-T670 VanDerWaalsContact O-N 3.08Å; I668-T670 PolarHBondContact O-N 3.01Å; T670-I673 PolarHBondContact O-N 3.29Å; T670-Q674 WeakPolarHBondContact O-CB 3.38Å; T670-Q674 PolarHBondContact O-N 3.01Å
671I94.8Very high90.9Very high0 Ų034.6 Ų34.60%018%0.179CC..Hα-helixtrans-68.7-39179.5-60167000111.8F577 I601 L605 F620 L667 I668 K669 H675 I678 F679F577-I671 HydrophobicContact CE1-CD1 3.8Å; F577-I671 HydrophobicContact CZ-CD1 3.8Å; I601-I671 HydrophobicContact CG2-CD1 4.24Å; I601-I671 HydrophobicContact CG2-CG1 4.04Å; L605-I671 HydrophobicContact CD1-CD1 4.5Å; F620-I671 HydrophobicContact CB-CG2 4.34Å; F620-I671 HydrophobicContact CD1-CB 4.13Å; F620-I671 HydrophobicContact CD1-CG2 3.55Å; F620-I671 HydrophobicContact CD2-CG2 3.68Å; F620-I671 HydrophobicContact CE1-CB 3.88Å; F620-I671 HydrophobicContact CE1-CG2 3.61Å; F620-I671 HydrophobicContact CE2-CG2 3.76Å; F620-I671 HydrophobicContact CG-CG2 3.58Å; F620-I671 HydrophobicContact CZ-CB 4.18Å; F620-I671 HydrophobicContact CZ-CG2 3.73Å; L667-I671 HydrophobicContact CD1-CD1 4.18Å; L667-I671 HydrophobicContact CG-CD1 4.06Å; L667-I671 WeakPolarHBondContact O-CG1 3.25Å; L667-I671 PolarHBondContact O-N 3.32Å; I668-I671 PolarHBondContact O-N 2.97Å; I668-I671 VanDerWaalsContact O-N 3.15Å; K669-I671 VanDerWaalsContact C-N 3.28Å; K669-I671 PolarHBondContact O-N 3.26Å; I671-H675 VanDerWaalsContact O-CA 3.3Å; I671-H675 WeakPolarHBondContact O-CA 3.33Å; I671-H675 VanDerWaalsContact O-CB 3.32Å; I671-H675 WeakPolarHBondContact O-CB 3.49Å; I671-H675 PolarHBondContact O-N 3.43Å; I671-I678 HydrophobicContact CB-CD1 4.36Å; I671-I678 HydrophobicContact CG1-CD1 4.12Å; I671-F679 HydrophobicContact CG2-CE2 3.63Å; I671-F679 HydrophobicContact CG2-CZ 3.74Å
672I94.8Very high90.3Very high0 Ų036.1 Ų36.10%019%0.192CC..Hα-helixtrans-61.6-45.2174.1-66.9164.9000110.8F620 L623 N624 P637 L640 A641 I668 K669 H675F620-I672 HydrophobicContact CD1-CG1 3.7Å; F620-I672 HydrophobicContact CE1-CG1 3.91Å; L623-I672 HydrophobicContact CB-CD1 4.43Å; L623-I672 HydrophobicContact CB-CG1 4.13Å; L623-I672 HydrophobicContact CB-CG2 4.46Å; L623-I672 HydrophobicContact CD1-CD1 4.36Å; L623-I672 HydrophobicContact CD1-CG1 4.34Å; N624-I672 HydrophobicContact CB-CG2 4.45Å; N624-I672 PolarHBondContact ND2-O 2.94Å; P637-I672 HydrophobicContact CB-CG2 4.04Å; L640-I672 HydrophobicContact CB-CD1 4.07Å; A641-I672 HydrophobicContact CB-CD1 4.35Å; I668-I672 HydrophobicContact CG2-CD1 4.09Å; I668-I672 WeakPolarHBondContact O-CG1 3.49Å; I668-I672 PolarHBondContact O-N 2.87Å; K669-I672 PolarHBondContact O-N 3.48Å; I672-H675 PolarHBondContact O-CD2 2.87Å
673I93.4Very high89.6Confident69 Ų6945.2 Ų45.235%0.35422%0.215SC..Hα-helixtrans-73.2-41.6-176.9-63.9168.5000111.6L594 P637 K669 T670L594-I673 HydrophobicContact CD2-CG2 4.48Å; P637-I673 HydrophobicContact CB-CD1 4.24Å; P637-I673 HydrophobicContact CB-CG1 3.94Å; P637-I673 HydrophobicContact CG-CG1 4.22Å; K669-I673 HydrophobicContact CG-CD1 3.79Å; K669-I673 WeakPolarHBondContact O-CG1 3.38Å; K669-I673 PolarHBondContact O-N 3.44Å; T670-I673 PolarHBondContact O-N 3.29Å
674Q92.1Very high89.1Confident24 Ų2447.8 Ų47.811%0.11223%0.227CC..THydrogen-bonded Turntrans-10524.5-172.8-63.2-65.3-41.300113.4L594 A598 T670 E676 N677 I678L594-Q674 HydrophobicContact CD1-CG 4.46Å; L594-Q674 HydrophobicContact CD2-CG 4.17Å; L594-Q674 HydrophobicContact CG-CG 4.03Å; A598-Q674 HydrophobicContact CB-CB 3.92Å; A598-Q674 HydrophobicContact CB-CG 4.18Å; T670-Q674 WeakPolarHBondContact O-CB 3.38Å; T670-Q674 PolarHBondContact O-N 3.01Å; Q674-E676 VanDerWaalsContact C-N 3.26Å; Q674-E676 PolarHBondContact O-N 3.28Å; Q674-E676 VanDerWaalsContact O-N 3.16Å; Q674-N677 PolarHBondContact O-N 2.81Å; Q674-N677 PolarHBondContact OE1-ND2 2.87Å; Q674-I678 HydrophobicContact CB-CD1 3.77Å; Q674-I678 HydrophobicContact CB-CG1 4.24Å; Q674-I678 WeakPolarHBondContact O-CG1 3.09Å; Q674-I678 PolarHBondContact O-N 3.43Å
675H91.8Very high88.7Confident28 Ų2848.3 Ų48.313%0.1323%0.229CC..Hα-helixtrans-55.6-37.4-17373.894.9000113.4F620 N624 I671 I672 N677 I678 F679F620-H675 HydrophobicContact CB-CB 4.09Å; N624-H675 VanDerWaalsContact CB-CD2 3.43Å; N624-H675 WeakPolarHBondContact CB-CD2 3.47Å; N624-H675 VanDerWaalsContact CG-CD2 3.41Å; N624-H675 PolarHBondContact ND2-CD2 3.25Å; I671-H675 VanDerWaalsContact O-CA 3.3Å; I671-H675 WeakPolarHBondContact O-CA 3.33Å; I671-H675 VanDerWaalsContact O-CB 3.32Å; I671-H675 WeakPolarHBondContact O-CB 3.49Å; I671-H675 PolarHBondContact O-N 3.43Å; I672-H675 PolarHBondContact O-CD2 2.87Å; H675-N677 VanDerWaalsContact C-N 3.34Å; H675-N677 PolarHBondContact O-N 3.48Å; H675-I678 PolarHBondContact O-N 2.9Å; H675-F679 HydrophobicContact CB-CD2 4.13Å; H675-F679 HydrophobicContact CB-CE2 4.34Å; H675-F679 WeakPolarHBondContact O-CD2 3.42Å; H675-F679 PolarHBondContact O-N 3.21Å
676E89.4Confident87.9Confident131 Ų13155.8 Ų55.861%0.61226%0.264SS*.Hα-helixtrans-67.4-31.2177.5-56.1-167.315400113.4Q674Q674-E676 VanDerWaalsContact C-N 3.26Å; Q674-E676 PolarHBondContact O-N 3.28Å; Q674-E676 VanDerWaalsContact O-N 3.16Å
677N89.2Confident87.3Confident86 Ų8655.1 Ų55.146%0.4627%0.27SS..Hα-helixtrans-87-20.8177.9-71.1-39.9000112.5R602 Q674 H675R602-N677 WeakPolarHBondContact CD-O 3.46Å; Q674-N677 PolarHBondContact O-N 2.81Å; Q674-N677 PolarHBondContact OE1-ND2 2.87Å; H675-N677 VanDerWaalsContact C-N 3.34Å; H675-N677 PolarHBondContact O-N 3.48Å
678I91.3Very high86.7Confident2 Ų257.5 Ų57.51%0.0129%0.285CS..Hα-helixtrans-91.2-45.3-177.3-71.5166.6000111.9A598 I601 R602 L605 I671 Q674 H675A598-I678 HydrophobicContact CB-CD1 4.16Å; A598-I678 HydrophobicContact CB-CG1 3.87Å; I601-I678 HydrophobicContact CB-CD1 4.47Å; I601-I678 HydrophobicContact CG2-CD1 4.18Å; I601-I678 HydrophobicContact CG2-CG1 4.42Å; I601-I678 HydrophobicContact CG2-CG2 3.95Å; R602-I678 WeakPolarHBondContact CB-O 3.42Å; R602-I678 VanDerWaalsContact CD-O 3.31Å; R602-I678 WeakPolarHBondContact CD-O 3.31Å; R602-I678 WeakPolarHBondContact CG-O 3.35Å; L605-I678 HydrophobicContact CD1-CG2 3.76Å; I671-I678 HydrophobicContact CB-CD1 4.36Å; I671-I678 HydrophobicContact CG1-CD1 4.12Å; Q674-I678 HydrophobicContact CB-CD1 3.77Å; Q674-I678 HydrophobicContact CB-CG1 4.24Å; Q674-I678 WeakPolarHBondContact O-CG1 3.09Å; Q674-I678 PolarHBondContact O-N 3.43Å; H675-I678 PolarHBondContact O-N 2.9Å
679F91.4Very high86.2Confident7 Ų761.3 Ų61.33%0.03131%0.305CS..SBendtrans-91.3144.9-176.4-63.9-67.5000112.4L605 L613 M616 R617 F620 I671 H675L605-F679 HydrophobicContact CD1-CE1 3.94Å; L605-F679 HydrophobicContact CD1-CZ 4.15Å; L613-F679 HydrophobicContact CD2-CD1 4.34Å; L613-F679 HydrophobicContact CD2-CE1 4.39Å; M616-F679 HydrophobicContact CB-CD1 4.3Å; M616-F679 HydrophobicContact CB-CE1 3.48Å; M616-F679 VanDerWaalsContact CB-CE1 3.48Å; M616-F679 HydrophobicContact CB-CZ 3.69Å; M616-F679 HydrophobicContact CG-CE1 4.29Å; M616-F679 HydrophobicContact CG-CZ 4.5Å; M616-F679 HydrophobicContact SD-CE1 3.83Å; M616-F679 HydrophobicContact SD-CZ 4.28Å; R617-F679 HydrophobicContact CB-CB 3.97Å; R617-F679 HydrophobicContact CB-CD1 4.33Å; R617-F679 HydrophobicContact CB-CD2 4.47Å; R617-F679 HydrophobicContact CB-CG 3.99Å; R617-F679 HydrophobicContact CG-CB 3.78Å; R617-F679 HydrophobicContact CG-CG 4.27Å; F620-F679 HydrophobicContact CB-CE2 3.81Å; F620-F679 AromaticContact CD2-CE2 3.78Å; F620-F679 HydrophobicContact CD2-CE2 3.78Å; F620-F679 AromaticContact CD2-CZ 3.7Å; F620-F679 HydrophobicContact CD2-CZ 3.7Å; F620-F679 HydrophobicContact CE2-CZ 4.29Å; F620-F679 HydrophobicContact CG-CE2 4.01Å; F620-F679 HydrophobicContact CG-CZ 4.38Å; I671-F679 HydrophobicContact CG2-CE2 3.63Å; I671-F679 HydrophobicContact CG2-CZ 3.74Å; H675-F679 HydrophobicContact CB-CD2 4.13Å; H675-F679 HydrophobicContact CB-CE2 4.34Å; H675-F679 WeakPolarHBondContact O-CD2 3.42Å; H675-F679 PolarHBondContact O-N 3.21Å
680P86.5Confident85.8Confident9 Ų959.8 Ų59.86%0.05830%0.298CS..PPolyproline II helixtrans-60.3142.5177.7-24.335.1000113L606 R617 E684 L685L606-P680 HydrophobicContact CD2-CG 3.69Å; R617-P680 VanDerWaalsContact CD-O 3.31Å; R617-P680 WeakPolarHBondContact CD-O 3.34Å; P680-E684 WeakPolarHBondContact CA-OE2 3.39Å; P680-E684 HydrophobicContact CB-CB 3.81Å; P680-E684 WeakPolarHBondContact CB-OE2 3.36Å; P680-L685 HydrophobicContact CB-CB 3.84Å; P680-L685 HydrophobicContact CG-CB 4.46Å; P680-L685 HydrophobicContact CG-CD2 4.39Å
681N79.4Confident85.2Confident93 Ų9364.2 Ų64.250%0.49733%0.329SS..PPolyproline II helixtrans-65.1161.7179.3-88-44.1000112.4R683 E684 L685N681-R683 PolarHBondContact O-N 3.46Å; N681-E684 HydrophobicContact CB-CG 4.48Å; N681-E684 PolarHBondContact N-OE2 3.48Å; N681-E684 PolarHBondContact O-N 3.21Å; N681-L685 PolarHBondContact O-N 2.9Å
682P74.8Confident84.5Confident75 Ų7571.1 Ų71.149%0.48736%0.355SS..THydrogen-bonded Turntrans-51.5-27.3177.5-24.829.4000114.9I689P682-I689 HydrophobicContact CB-CD1 3.75Å; P682-I689 HydrophobicContact CG-CD1 3.59Å
683R72.7Confident82.4Confident248 Ų24874.1 Ų74.194%0.93639%0.386SS*.THydrogen-bonded Turntrans-82.2-17.5178.1-62.4-179179.9170.21114N681N681-R683 PolarHBondContact O-N 3.46Å
684E77.8Confident80Confident115 Ų11574.3 Ų74.354%0.53741%0.405SS..THydrogen-bonded Turntrans-100.7-31.1-179-62.4-179.8166.800111.8R602 P680 N681R602-E684 IonicContact NH2-OE1 2.82Å; R602-E684 IonicContact NH2-OE2 3.25Å; R602-E684 PolarHBondContact NH2-OE2 3.01Å; P680-E684 WeakPolarHBondContact CA-OE2 3.39Å; P680-E684 HydrophobicContact CB-CB 3.81Å; P680-E684 WeakPolarHBondContact CB-OE2 3.36Å; N681-E684 HydrophobicContact CB-CG 4.48Å; N681-E684 PolarHBondContact N-OE2 3.48Å; N681-E684 PolarHBondContact O-N 3.21Å
685L82.8Confident77Confident10 Ų1078.3 Ų78.35%0.05244%0.436CS..SBendtrans-137.496.7-179.7-178.163.4000110.9K610 L613 I614 P680 N681 G687K610-L685 HydrophobicContact CB-CD1 4.01Å; K610-L685 HydrophobicContact CD-CD1 4Å; K610-L685 HydrophobicContact CG-CD1 3.94Å; L613-L685 HydrophobicContact CB-CD2 3.82Å; I614-L685 HydrophobicContact CG1-CD1 4.36Å; I614-L685 HydrophobicContact CG1-CD2 4.04Å; I614-L685 HydrophobicContact CG1-CG 4.09Å; P680-L685 HydrophobicContact CB-CB 3.84Å; P680-L685 HydrophobicContact CG-CB 4.46Å; P680-L685 HydrophobicContact CG-CD2 4.39Å; N681-L685 PolarHBondContact O-N 2.9Å; L685-G687 PolarHBondContact O-N 3.38Å
686E75.9Confident74Confident173 Ų17385.8 Ų85.881%0.80847%0.473SS*.  trans-60.8132.6173.3-66.1-179.517100111.2
687G79.1Confident71.1Confident33 Ų3388.2 Ų88.234%0.3448%0.484SS..SBendtrans162.4169177.700000112.1R617 L685 I689R617-G687 PolarHBondContact NH2-O 3.34Å; L685-G687 PolarHBondContact O-N 3.38Å; G687-I689 WeakPolarHBondContact O-CG1 3.46Å
688P81.6Confident68.2Low51 Ų5191.8 Ų91.833%0.33150%0.503SS..  trans-54.8152.3175.824.2-35.7000112.2A503 I504 I614 R617A503-P688 HydrophobicContact CB-CG 3.84Å; I504-P688 HydrophobicContact CD1-CB 3.72Å; I504-P688 HydrophobicContact CD1-CG 3.39Å; I504-P688 HydrophobicContact CG1-CB 4.48Å; I504-P688 HydrophobicContact CG1-CG 3.63Å; I614-P688 HydrophobicContact CG2-CG 3.89Å; R617-P688 PolarHBondContact NH1-O 2.92Å; R617-P688 PolarHBondContact NH2-O 3.07Å
689I83.6Confident65.2Low79 Ų79102.3 Ų102.341%0.40554%0.544SS..  trans-131.4139.6-176.1-44.8-159.2000107.5P682 G687 S691P682-I689 HydrophobicContact CB-CD1 3.75Å; P682-I689 HydrophobicContact CG-CD1 3.59Å; G687-I689 WeakPolarHBondContact O-CG1 3.46Å; I689-S691 PolarHBondContact O-N 3.47Å
690Y86.7Confident62.1Low22 Ų22107.4 Ų107.49%0.08658%0.58CS.*  trans-69.1112.4171.5177.3-103.8000108.8I512 S516 Y618 A621 F622 H625 R692I512-Y690 HydrophobicContact CG2-CD2 3.89Å; I512-Y690 HydrophobicContact CG2-CE2 3.77Å; S516-Y690 WeakPolarHBondContact CB-OH 3.46Å; S516-Y690 PolarHBondContact OG-OH 2.97Å; Y618-Y690 VanDerWaalsContact CD2-N 3.31Å; Y618-Y690 HydrophobicContact CE1-CD2 4.45Å; Y618-Y690 HydrophobicContact CE2-CD2 4.36Å; A621-Y690 HydrophobicContact CB-CD1 4.2Å; F622-Y690 HydrophobicContact CB-CD1 4.3Å; F622-Y690 HydrophobicContact CB-CD2 4.01Å; F622-Y690 HydrophobicContact CB-CE1 4.3Å; F622-Y690 HydrophobicContact CB-CE2 4.03Å; F622-Y690 HydrophobicContact CB-CG 4.15Å; F622-Y690 AromaticContact CD2-CE2 3.98Å; F622-Y690 HydrophobicContact CD2-CE2 3.98Å; F622-Y690 AromaticContact CD2-CZ 3.93Å; F622-Y690 HydrophobicContact CG-CE2 4.45Å; H625-Y690 HydrophobicContact CB-CE1 3.73Å; H625-Y690 AromaticContact CG-CE1 3.97Å; H625-Y690 AromaticContact ND1-CE1 3.67Å; H625-Y690 AromaticContact ND1-CZ 3.69Å; H625-Y690 PolarHBondContact ND1-OH 3.25Å; Y690-R692 HydrophobicContact CE1-CG 4.43Å
691S79.4Confident59.1Low94 Ų94114.2 Ų114.266%0.65762%0.616SS**  trans-100.5131174.3-64.60000109I689 G693I689-S691 PolarHBondContact O-N 3.47Å; S691-G693 PolarHBondContact O-N 2.92Å
692R80.9Confident56.5Low144 Ų144114.4 Ų114.454%0.54362%0.624SS.*  trans-65.3106.3172.2-55.4-178.9-169.6-159.31.4108Q628 Y690 G694Q628-R692 VanDerWaalsContact NE2-NH2 3.19Å; Y690-R692 HydrophobicContact CE1-CG 4.43Å; R692-G694 PolarHBondContact O-N 3.4Å
693G51.7Low54.1Low64 Ų64115.6 Ų115.666%0.6663%0.63SS**  trans-89.399.7-171.900000112.7S691S691-G693 PolarHBondContact O-N 2.92Å
694G41.2Very low52.1Low73 Ų73112.9 Ų112.975%0.75363%0.627SS**  trans149.1118.9171.200000112.6R692R692-G694 PolarHBondContact O-N 3.4Å
695S29Very low49.5Very low108 Ų108110.8 Ų110.876%0.75564%0.637SS**  trans-80.2124.9-175.652.30000113.3
696M28.8Very low46.7Very low184 Ų184118.9 Ų118.991%0.90668%0.675SS**SBendtrans-100.8150.1130.9-163.3164.4-17200106.5
697E29.2Very low44.2Very low183 Ų183116 Ų11686%0.85567%0.669SS**  trans73.880.1-173.2-52.2-175.1170.600115.9
698D28.7Very low41.5Very low160 Ų160120.1 Ų120.186%0.85669%0.688SS**  trans-133.769.6145.5-144.92.9000108.6
699Y27.3Very low38.7Very low224 Ų224122.8 Ų122.888%0.87871%0.707SS**SBendtrans-146.2135.4164.6-148.3-94.3000110.4
700C26.7Very low35.8Very low114 Ų114122.9 Ų122.977%0.7772%0.72SS**  trans-70.1152.5-160.9-61.90000115.7S702C700-S702 PolarHBondContact O-N 3Å
701D23Very low32.9Very low152 Ų152130.9 Ų130.981%0.81376%0.758SS**  trans-42.7126159.9175.425.2000113.6
702S25.1Very low30.2Very low96 Ų96133.2 Ų133.267%0.67176%0.763SS**  trans-171.1100.3149.9167.40000111.4C700C700-S702 PolarHBondContact O-N 3Å
703T26.1Very low27.5Very low100 Ų100130.3 Ų130.361%0.61377%0.765SS**  trans14.2146.1144.549.80000122
704H29.6Very low26.2Very low191 Ų191133 Ų13388%0.88477%0.769SS**  trans82.4133.2-178.4-48.5-72.4000113.5
705G23.3Very low25.6Very low71 Ų71138.6 Ų138.673%0.73278%0.775SS**  cis147.6132.5-0.800000110.9
706E23.6Very low25.3Very low181 Ų181139.7 Ų139.785%0.84677%0.772SS**  trans63.8110.4159.5-82.9179.115900121
707T23.5Very low25.3Very low113 Ų113137.8 Ų137.869%0.69377%0.771SS**  62.3131.4126.855.40000123.6
708T21.8Very low25.1Very low119 Ų119134.5 Ų134.573%0.7376%0.764SS**  trans76.7118.713453.50000122.1
709S22.9Very low25Very low107 Ų107131.7 Ų131.775%0.74876%0.762SS**  85.1126.6120.669.70000122.2
710A23.6Very low25Very low80 Ų80128.9 Ų128.966%0.66176%0.757SS**  trans85.7125.7133.100000120.1
711E25.3Very low25.1Very low191 Ų191131.5 Ų131.589%0.89376%0.758SS**  trans66.1144.4140.8-69.2171.3-159.500118.1
712D23.7Very low25.2Very low143 Ų143131.3 Ų131.377%0.76575%0.752SS**  cis-167.3-177-12.4178.532.7000107.4
713S23.9Very low25.3Very low82 Ų82132.9 Ų132.957%0.57376%0.757SS**  trans8093.91568.90000121.2
714T24.6Very low25.4Very low122 Ų122133.6 Ų133.675%0.74877%0.766SS**  55.8128119.860.50000121.7
715Q27.3Very low25.7Very low190 Ų190131.7 Ų131.789%0.88876%0.763SS**  -166.5144.696.7-104.6175.43.500115
716D23Very low26.3Very low130 Ų130135.7 Ų135.770%0.69577%0.768SS**  trans-51.7147.7179.4-65.4-73.3000117
717V29Very low27.1Very low145 Ų145136.3 Ų136.388%0.87977%0.77SS**  -134.9107.1124.8-178.20000108.8
718T25.6Very low28.1Very low114 Ų114135.3 Ų135.370%0.69977%0.767SS**  trans-88.7134.4168.845.80000111
719A27.3Very low30Very low100 Ų100137.5 Ų137.583%0.82677%0.769SS**  trans-148.9116.9155.700000107.8
720E26.8Very low32.2Very low165 Ų165135.5 Ų135.577%0.77175%0.753SS**  trans-78.6152.6-170.8-55.6168.7144.900111.8
721H27.8Very low35.3Very low169 Ų169134.3 Ų134.378%0.78274%0.735SS**  trans-152.794134.7-97.7-45.5000112.8
722H26Very low38.3Very low149 Ų149130.5 Ų130.569%0.6972%0.717SS**  trans62.3107.2136.2-54.1172.9000119.3
723T27.4Very low41.5Very low128 Ų128123.7 Ų123.779%0.78568%0.681SS**  trans-59.6147.3149.447.40000111.9
724S28.4Very low44.7Very low115 Ų115123.1 Ų123.180%0.80467%0.671SS**  trans-132.6101.4150.157.70000107.7D726S724-D726 PolarHBondContact O-N 3.01Å
725D36.1Very low48Very low151 Ų151117.4 Ų117.481%0.80764%0.636SS**  trans-63.6114.5163.6-67.2-49.6000107.8
726D34.3Very low50.9Low156 Ų156113.5 Ų113.583%0.83462%0.616SS**  trans-120.9103.5154.3-121.8-7.3000104.6S724 C728S724-D726 PolarHBondContact O-N 3.01Å; D726-C728 PolarHBondContact O-N 3.35Å
727E41.2Very low53.9Low194 Ų194111.7 Ų111.791%0.90760%0.602SS**  trans-67.287.7169.9-76.7-164.4146.600107.6E729E727-E729 PolarHBondContact O-N 3.46Å; E727-E729 VanDerWaalsContact O-N 3.14Å
728C44.4Very low56.7Low91 Ų91108.7 Ų108.762%0.61558%0.581SS**PPolyproline II helixtrans-61.7117.2175.8-160.80000108.3D726D726-C728 PolarHBondContact O-N 3.35Å
729E60.8Low59.8Low166 Ų166104.3 Ų104.378%0.77655%0.552SS**PPolyproline II helixtrans-56.6128.8-178.6-71.9-165.6154.300109.5E727 I731E727-E729 PolarHBondContact O-N 3.46Å; E727-E729 VanDerWaalsContact O-N 3.14Å; E729-I731 PolarHBondContact O-N 3.15Å
730P70.8Confident62.9Low65 Ų65104.5 Ų104.542%0.42254%0.543SS..PPolyproline II helixtrans-70.6119.3-169.429.4-36.5000110.2L756 L757 Y758P730-L756 HydrophobicContact CB-CD1 3.72Å; P730-L756 HydrophobicContact CB-CD2 3.97Å; P730-L756 HydrophobicContact CB-CG 3.72Å; P730-L756 HydrophobicContact CG-CD1 4.1Å; P730-L756 HydrophobicContact CG-CD2 4.31Å; P730-L756 HydrophobicContact CG-CG 4.41Å; P730-L757 CarbonylContact C-O 3.58Å; P730-L757 WeakPolarHBondContact CA-O 3.44Å; P730-Y758 HydrophobicContact CB-CD1 3.96Å; P730-Y758 HydrophobicContact CB-CE1 3.9Å
731I86.8Confident65.8Low54 Ų5497.5 Ų97.528%0.27752%0.515SS..EExtended strand (participates in β ladder)trans-79.4125.8-166.8-46.6174000109.7E729 L757 W766 V784E729-I731 PolarHBondContact O-N 3.15Å; I731-L757 HydrophobicContact CB-CB 4.31Å; I731-L757 PolarHBondContact N-O 3.07Å; I731-L757 PolarHBondContact O-N 2.91Å; I731-W766 HydrophobicContact CD1-CH2 4.31Å; I731-W766 HydrophobicContact CD1-CZ3 4.23Å; I731-V784 HydrophobicContact CG2-CG1 3.54Å
732E90.1Very high68.2Low111 Ų11199.7 Ų99.752%0.51952%0.517SS..EExtended strand (participates in β ladder)trans-76.9131.4175.1-68.6-162.1178.100111.8L756 Q785E732-L756 HydrophobicContact CG-CD1 4.22Å; E732-Q785 PolarHBondContact O-N 3.29Å; E732-Q785 VanDerWaalsContact O-N 3.17Å
733A90.8Very high70.8Confident1 Ų196.4 Ų96.41%0.00851%0.507CS..EExtended strand (participates in β ladder)trans-134.3151176.400000111.4L755 L757 I782 V783A733-L755 PolarHBondContact N-O 3.18Å; A733-L755 PolarHBondContact O-N 2.78Å; A733-L757 HydrophobicContact CB-CD1 3.76Å; A733-L757 HydrophobicContact CB-CD2 4.34Å; A733-L757 HydrophobicContact CB-CG 3.96Å; A733-I782 HydrophobicContact CB-CB 4.34Å; A733-I782 HydrophobicContact CB-CD1 4.12Å; A733-V783 CarbonylContact C-O 3.59Å; A733-V783 WeakPolarHBondContact CA-O 3.27Å; A733-V783 WeakPolarHBondContact CB-O 3.48Å
734I90.9Very high73.1Confident69 Ų6996 Ų9635%0.35452%0.516SS..EExtended strand (participates in β ladder)trans-113.2132.6178-62-179.2000110.2K736 A753 I782 V783 Q785I734-K736 PolarHBondContact O-N 3.08Å; I734-A753 WeakPolarHBondContact CA-O 3.46Å; I734-I782 CarbonylContact O-C 3.54Å; I734-I782 WeakPolarHBondContact O-CA 3.45Å; I734-V783 PolarHBondContact N-O 3.27Å; I734-V783 PolarHBondContact O-N 3.44Å; I734-Q785 VanDerWaalsContact CD1-NE2 3.3Å
735A92.4Very high75.8Confident2 Ų299.8 Ų99.82%0.01751%0.513CS..EExtended strand (participates in β ladder)trans-62.4114.7173.900000112F749 K750 G752 A753 L755 Y781A735-F749 HydrophobicContact CB-CD2 3.49Å; A735-F749 VanDerWaalsContact CB-CD2 3.49Å; A735-F749 HydrophobicContact CB-CE2 3.77Å; A735-K750 VanDerWaalsContact CB-O 3.27Å; A735-K750 WeakPolarHBondContact CB-O 3.42Å; A735-G752 PolarHBondContact O-N 2.98Å; A735-A753 HydrophobicContact CB-CB 4.3Å; A735-A753 PolarHBondContact N-O 3.21Å; A735-L755 HydrophobicContact CB-CD1 4.08Å; A735-Y781 CarbonylContact C-O 3.5Å
736K89.4Confident78.5Confident108 Ų10894 Ų9447%0.4748%0.481SS..SBendtrans-73.1-29176-171.1177.5175.4-1780112.5I734 K751 Y781 V783I734-K736 PolarHBondContact O-N 3.08Å; K736-K751 WeakPolarHBondContact O-CD 3.38Å; K736-K751 WeakPolarHBondContact O-CE 3.23Å; K736-K751 WeakPolarHBondContact O-CG 3.33Å; K736-Y781 WeakPolarHBondContact CB-O 3.43Å; K736-Y781 PolarHBondContact N-O 2.73Å; K736-V783 HydrophobicContact CB-CG2 4.3Å; K736-V783 HydrophobicContact CD-CG2 4.24Å
737F84.9Confident81.1Confident93 Ų9387.1 Ų87.141%0.40844%0.444SS..SBendtrans-140.1165.6-177.6-55.9-68000111.1Y781F737-Y781 HydrophobicContact CB-CD1 3.87Å; F737-Y781 HydrophobicContact CB-CE1 4.3Å; F737-Y781 HydrophobicContact CD2-CD1 4.45Å
738D87.6Confident83.6Confident81 Ų8180.9 Ų80.943%0.43342%0.422SS..  trans-68.9139.6167.6-79.911.9000109.8K750 K751D738-K750 HydrophobicContact CB-CD 4.31Å; D738-K750 WeakPolarHBondContact OD1-CA 3.39Å; D738-K750 WeakPolarHBondContact OD1-CD 3.46Å; D738-K750 WeakPolarHBondContact OD2-CD 3.47Å; D738-K750 WeakPolarHBondContact OD2-CE 3.42Å; D738-K750 IonicContact OD2-NZ 3.8Å; D738-K750 PolarHBondContact OD2-NZ 2.92Å; D738-K751 WeakPolarHBondContact OD1-CB 3.16Å; D738-K751 PolarHBondContact OD1-N 3.21Å
739Y92.1Very high85.9Confident23 Ų2376.9 Ų76.99%0.0939%0.394CS..BIsolated β-bridgetrans-134.5138174.1-168.6-105.6000111.7E746 L747 S748 F749 W765 P778 Y781Y739-E746 HydrophobicContact CE1-CB 4.46Å; Y739-E746 PolarHBondContact OH-OE2 3.3Å; Y739-L747 WeakPolarHBondContact CD1-O 3.22Å; Y739-S748 WeakPolarHBondContact O-CA 3.35Å; Y739-F749 VanDerWaalsContact CB-CE2 3.49Å; Y739-F749 AromaticContact CD1-CE1 3.96Å; Y739-F749 HydrophobicContact CD1-CE1 3.96Å; Y739-F749 HydrophobicContact CD1-CZ 4.16Å; Y739-F749 HydrophobicContact CG-CE1 4.29Å; Y739-F749 HydrophobicContact CG-CE2 4.47Å; Y739-F749 HydrophobicContact CG-CZ 4.04Å; Y739-F749 PolarHBondContact N-O 3.29Å; Y739-F749 PolarHBondContact O-N 3.45Å; Y739-W765 WeakPolarHBondContact OH-CH2 3.5Å; Y739-P778 HydrophobicContact CD1-CG 3.83Å; Y739-P778 HydrophobicContact CD2-CG 3.8Å; Y739-P778 HydrophobicContact CE1-CG 3.78Å; Y739-P778 HydrophobicContact CE2-CG 3.75Å; Y739-P778 HydrophobicContact CG-CG 3.84Å; Y739-Y781 AromaticContact CD2-CD1 3.72Å; Y739-Y781 HydrophobicContact CD2-CD1 3.72Å; Y739-Y781 HydrophobicContact CD2-CD2 4.38Å; Y739-Y781 AromaticContact CD2-CE1 3.73Å; Y739-Y781 HydrophobicContact CD2-CE1 3.73Å; Y739-Y781 HydrophobicContact CD2-CE2 4.4Å; Y739-Y781 HydrophobicContact CD2-CG 4.08Å; Y739-Y781 HydrophobicContact CE2-CE1 4.49Å; Y739-Y781 HydrophobicContact CG-CD1 4.29Å
740V91.3Very high87.4Confident103 Ų10375.2 Ų75.262%0.62438%0.384SS*.  trans-123.2114.9175.4-178.40000107.2
741G87.4Confident88.4Confident19 Ų1978.8 Ų78.820%0.19639%0.393CS..  trans-62.2133.5179.300000111.3E746 S748G741-E746 VanDerWaalsContact CA-CB 3.48Å; G741-S748 PolarHBondContact N-OG 3.28Å
742R79.5Confident88.3Confident215 Ų21578.9 Ų78.981%0.81141%0.407SS*.SBendtrans-91.3-24.4-177.1-60-179.5179.7-178.60.2112.2E746R742-E746 PolarHBondContact N-OE2 3.3Å
743T79.3Confident88.3Confident80 Ų8074.5 Ų74.549%0.49139%0.39SS..SBendtrans-118.6162.8173.866.50000111.4R745 E746T743-R745 PolarHBondContact O-N 2.73Å; T743-R745 VanDerWaalsContact O-N 3.1Å; T743-E746 VanDerWaalsContact CB-OE1 3.31Å; T743-E746 WeakPolarHBondContact CB-OE1 3.46Å; T743-E746 VanDerWaalsContact CG2-OE1 3.28Å; T743-E746 WeakPolarHBondContact CG2-OE1 3.49Å; T743-E746 PolarHBondContact N-OE1 3.27Å; T743-E746 PolarHBondContact O-N 3.39Å; T743-E746 WeakPolarHBondContact OG1-CG 3.34Å; T743-E746 PolarHBondContact OG1-OE1 3.2Å
744A76.1Confident88.4Confident118 Ų11878 Ų7898%0.97541%0.414SS*.THydrogen-bonded Turntrans-65.1-10.517800000114.4
745R86.1Confident88.4Confident196 Ų19674.7 Ų74.774%0.7440%0.398SS*.THydrogen-bonded Turntrans-91.7-12.3173.6-67.1-170.9-178.7-1713.2113.1T743 G775 L776T743-R745 PolarHBondContact O-N 2.73Å; T743-R745 VanDerWaalsContact O-N 3.1Å; R745-G775 CarbonylContact O-C 3.48Å; R745-G775 VanDerWaalsContact O-CA 3.28Å; R745-G775 WeakPolarHBondContact O-CA 3.45Å; R745-L776 HydrophobicContact CB-CD1 4.35Å; R745-L776 PolarHBondContact O-N 3.1Å
746E91.8Very high88.4Confident28 Ų2876.9 Ų76.913%0.13141%0.409CS..BIsolated β-bridgetrans-94.3130.1-177.2-71.1161-119.500111.9Y739 G741 R742 T743 W765Y739-E746 HydrophobicContact CE1-CB 4.46Å; Y739-E746 PolarHBondContact OH-OE2 3.3Å; G741-E746 VanDerWaalsContact CA-CB 3.48Å; R742-E746 PolarHBondContact N-OE2 3.3Å; T743-E746 VanDerWaalsContact CB-OE1 3.31Å; T743-E746 WeakPolarHBondContact CB-OE1 3.46Å; T743-E746 VanDerWaalsContact CG2-OE1 3.28Å; T743-E746 WeakPolarHBondContact CG2-OE1 3.49Å; T743-E746 PolarHBondContact N-OE1 3.27Å; T743-E746 PolarHBondContact O-N 3.39Å; T743-E746 WeakPolarHBondContact OG1-CG 3.34Å; T743-E746 PolarHBondContact OG1-OE1 3.2Å; E746-W765 HydrophobicContact CG-CH2 3.75Å; E746-W765 HydrophobicContact CG-CZ3 3.8Å
747L90.1Very high88.5Confident12 Ų1271.7 Ų71.76%0.06339%0.386CS..PPolyproline II helixtrans-81127.3-179.8-66175.9000111.2Y739 F749 G768 H770 I773 L776 I777Y739-L747 WeakPolarHBondContact CD1-O 3.22Å; L747-F749 HydrophobicContact CB-CD1 4.48Å; L747-F749 WeakPolarHBondContact O-CD1 3.32Å; L747-F749 WeakPolarHBondContact O-CE1 3.43Å; L747-G768 WeakPolarHBondContact CD1-O 3.36Å; L747-H770 HydrophobicContact CB-CB 4.44Å; L747-H770 HydrophobicContact CD1-CB 4Å; L747-I773 HydrophobicContact CD2-CB 3.98Å; L747-I773 HydrophobicContact CD2-CG2 3.78Å; L747-I773 WeakPolarHBondContact CD2-O 3.39Å; L747-L776 PolarHBondContact N-O 3.34Å; L747-I777 HydrophobicContact CB-CG1 4.31Å; L747-I777 HydrophobicContact CD1-CD1 3.98Å; L747-I777 HydrophobicContact CD1-CG1 3.83Å
748S92.6Very high88.6Confident63 Ų6371 Ų7144%0.44138%0.381SS..PPolyproline II helixtrans-86.5134.1171.6-60.80000110.9Y739 G741 H770Y739-S748 WeakPolarHBondContact O-CA 3.35Å; G741-S748 PolarHBondContact N-OG 3.28Å; S748-H770 PolarHBondContact O-CE1 3.22Å; S748-H770 VanDerWaalsContact O-CE1 3.26Å; S748-H770 PolarHBondContact O-ND1 2.94Å
749F93.1Very high88.6Confident7 Ų773.5 Ų73.53%0.03139%0.39CS..BIsolated β-bridgetrans-150.9164.2-17851.3-98.3000112.8A735 Y739 L747 A753 L755 H770 I777 P778 I782A735-F749 HydrophobicContact CB-CD2 3.49Å; A735-F749 VanDerWaalsContact CB-CD2 3.49Å; A735-F749 HydrophobicContact CB-CE2 3.77Å; Y739-F749 VanDerWaalsContact CB-CE2 3.49Å; Y739-F749 AromaticContact CD1-CE1 3.96Å; Y739-F749 HydrophobicContact CD1-CE1 3.96Å; Y739-F749 HydrophobicContact CD1-CZ 4.16Å; Y739-F749 HydrophobicContact CG-CE1 4.29Å; Y739-F749 HydrophobicContact CG-CE2 4.47Å; Y739-F749 HydrophobicContact CG-CZ 4.04Å; Y739-F749 PolarHBondContact N-O 3.29Å; Y739-F749 PolarHBondContact O-N 3.45Å; L747-F749 HydrophobicContact CB-CD1 4.48Å; L747-F749 WeakPolarHBondContact O-CD1 3.32Å; L747-F749 WeakPolarHBondContact O-CE1 3.43Å; F749-A753 HydrophobicContact CB-CB 4.27Å; F749-L755 HydrophobicContact CB-CD2 4.09Å; F749-L755 HydrophobicContact CD1-CD1 4.17Å; F749-L755 HydrophobicContact CD1-CD2 4.02Å; F749-L755 HydrophobicContact CD2-CD1 4.03Å; F749-L755 HydrophobicContact CE1-CD1 4.15Å; F749-L755 HydrophobicContact CE2-CD1 3.98Å; F749-L755 HydrophobicContact CG-CD1 4.12Å; F749-L755 HydrophobicContact CG-CD2 4.04Å; F749-L755 HydrophobicContact CZ-CD1 4.03Å; F749-H770 VanDerWaalsContact CB-CE1 3.48Å; F749-H770 WeakPolarHBondContact CB-CE1 3.48Å; F749-I777 HydrophobicContact CE1-CG2 3.85Å; F749-I777 HydrophobicContact CZ-CG2 4Å; F749-P778 HydrophobicContact CZ-CG 4.29Å; F749-I782 HydrophobicContact CE2-CG2 4.37Å; F749-I782 HydrophobicContact CZ-CG2 4.2Å
750K92.1Very high88.3Confident131 Ų13177.3 Ų77.357%0.5741%0.405SS*.  trans-108.3151.9179.6-71.3-60-168.2-175.90111A735 D738 G752 A753A735-K750 VanDerWaalsContact CB-O 3.27Å; A735-K750 WeakPolarHBondContact CB-O 3.42Å; D738-K750 HydrophobicContact CB-CD 4.31Å; D738-K750 WeakPolarHBondContact OD1-CA 3.39Å; D738-K750 WeakPolarHBondContact OD1-CD 3.46Å; D738-K750 WeakPolarHBondContact OD2-CD 3.47Å; D738-K750 WeakPolarHBondContact OD2-CE 3.42Å; D738-K750 IonicContact OD2-NZ 3.8Å; D738-K750 PolarHBondContact OD2-NZ 2.92Å; K750-G752 PolarHBondContact O-N 3.29Å; K750-A753 WeakPolarHBondContact O-CB 3.49Å; K750-A753 PolarHBondContact O-N 2.87Å
751K91.3Very high87.7Confident141 Ų14175 Ų7561%0.61340%0.396SS*.THydrogen-bonded Turntrans-52.1129.1173.6179170.9-177.41700110.4K736 D738K736-K751 WeakPolarHBondContact O-CD 3.38Å; K736-K751 WeakPolarHBondContact O-CE 3.23Å; K736-K751 WeakPolarHBondContact O-CG 3.33Å; D738-K751 WeakPolarHBondContact OD1-CB 3.16Å; D738-K751 PolarHBondContact OD1-N 3.21Å
752G85.5Confident87.4Confident55 Ų5576.7 Ų76.757%0.56741%0.405SS*.THydrogen-bonded Turntrans85.9-0.9-175.100000115.1A735 K750A735-G752 PolarHBondContact O-N 2.98Å; K750-G752 PolarHBondContact O-N 3.29Å
753A90.4Very high87.1Confident20 Ų2072 Ų7217%0.16540%0.396CS..  trans-65.1138.1169.200000110.7I734 A735 F749 K750I734-A753 WeakPolarHBondContact CA-O 3.46Å; A735-A753 HydrophobicContact CB-CB 4.3Å; A735-A753 PolarHBondContact N-O 3.21Å; F749-A753 HydrophobicContact CB-CB 4.27Å; K750-A753 WeakPolarHBondContact O-CB 3.49Å; K750-A753 PolarHBondContact O-N 2.87Å
754S91.7Very high87.4Confident73 Ų7372 Ų7251%0.5139%0.393SS..EExtended strand (participates in β ladder)trans-80.1136.6166.8-179.10000109.5
755L92.7Very high88.1Confident1 Ų169.6 Ų69.61%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-132.5139.9-173.4-61.9172000107.9A733 A735 F749 H770 I777 I782A733-L755 PolarHBondContact N-O 3.18Å; A733-L755 PolarHBondContact O-N 2.78Å; A735-L755 HydrophobicContact CB-CD1 4.08Å; F749-L755 HydrophobicContact CB-CD2 4.09Å; F749-L755 HydrophobicContact CD1-CD1 4.17Å; F749-L755 HydrophobicContact CD1-CD2 4.02Å; F749-L755 HydrophobicContact CD2-CD1 4.03Å; F749-L755 HydrophobicContact CE1-CD1 4.15Å; F749-L755 HydrophobicContact CE2-CD1 3.98Å; F749-L755 HydrophobicContact CG-CD1 4.12Å; F749-L755 HydrophobicContact CG-CD2 4.04Å; F749-L755 HydrophobicContact CZ-CD1 4.03Å; L755-H770 HydrophobicContact CD2-CB 3.64Å; L755-I777 HydrophobicContact CB-CD1 4.2Å; L755-I777 HydrophobicContact CD1-CG2 3.97Å; L755-I777 HydrophobicContact CD2-CD1 4.3Å; L755-I782 HydrophobicContact CD1-CG2 3.45Å; L755-I782 VanDerWaalsContact CD1-CG2 3.45Å
756L91.9Very high88.4Confident47 Ų4761.7 Ų61.725%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-110.5118.8-177.5-166.970.6000108.8P730 E732 Y758 G768 R769P730-L756 HydrophobicContact CB-CD1 3.72Å; P730-L756 HydrophobicContact CB-CD2 3.97Å; P730-L756 HydrophobicContact CB-CG 3.72Å; P730-L756 HydrophobicContact CG-CD1 4.1Å; P730-L756 HydrophobicContact CG-CD2 4.31Å; P730-L756 HydrophobicContact CG-CG 4.41Å; E732-L756 HydrophobicContact CG-CD1 4.22Å; L756-Y758 HydrophobicContact CD2-CE1 3.99Å; L756-Y758 HydrophobicContact CG-CE1 4.34Å; L756-G768 CarbonylContact O-C 3.36Å; L756-G768 WeakPolarHBondContact O-CA 3.43Å; L756-R769 HydrophobicContact CB-CB 4.38Å; L756-R769 PolarHBondContact N-O 3.46Å; L756-R769 VanDerWaalsContact N-O 3.12Å; L756-R769 PolarHBondContact O-N 2.87Å
757L91.8Very high88.4Confident0 Ų065.1 Ų65.10%035%0.345CS..EExtended strand (participates in β ladder)trans-100.2137.5-176.5-47.5-179.8000110.5P730 I731 A733 W766 I777 I782 V784P730-L757 CarbonylContact C-O 3.58Å; P730-L757 WeakPolarHBondContact CA-O 3.44Å; I731-L757 HydrophobicContact CB-CB 4.31Å; I731-L757 PolarHBondContact N-O 3.07Å; I731-L757 PolarHBondContact O-N 2.91Å; A733-L757 HydrophobicContact CB-CD1 3.76Å; A733-L757 HydrophobicContact CB-CD2 4.34Å; A733-L757 HydrophobicContact CB-CG 3.96Å; L757-W766 HydrophobicContact CB-CD2 4.35Å; L757-W766 HydrophobicContact CB-CE3 3.8Å; L757-W766 HydrophobicContact CB-CZ3 4.3Å; L757-W766 HydrophobicContact CD1-CD2 3.79Å; L757-W766 HydrophobicContact CD1-CE3 3.94Å; L757-W766 HydrophobicContact CD1-CG 4.13Å; L757-W766 HydrophobicContact CD1-CZ3 4.34Å; L757-W766 HydrophobicContact CD2-CB 3.99Å; L757-W766 HydrophobicContact CD2-CG 4.28Å; L757-W766 HydrophobicContact CG-CD2 4.49Å; L757-W766 HydrophobicContact CG-CE3 4.4Å; L757-I777 HydrophobicContact CD2-CB 4.47Å; L757-I777 HydrophobicContact CD2-CD1 3.92Å; L757-I777 HydrophobicContact CD2-CG2 4.32Å; L757-I782 HydrophobicContact CD1-CD1 3.72Å; L757-I782 HydrophobicContact CD2-CD1 3.83Å; L757-I782 HydrophobicContact CG-CD1 4.39Å; L757-V784 HydrophobicContact CD1-CG2 3.99Å
758Y87Confident88.5Confident78 Ų7864.6 Ų64.631%0.30634%0.342SS..EExtended strand (participates in β ladder)trans-105-55.2177.9-59.8-51.6000111.8P730 L756 E767 R769P730-Y758 HydrophobicContact CB-CD1 3.96Å; P730-Y758 HydrophobicContact CB-CE1 3.9Å; L756-Y758 HydrophobicContact CD2-CE1 3.99Å; L756-Y758 HydrophobicContact CG-CE1 4.34Å; Y758-E767 PolarHBondContact N-O 3.45Å; Y758-R769 HydrophobicContact CE2-CB 3.86Å; Y758-R769 WeakPolarHBondContact OH-CB 3.4Å; Y758-R769 WeakPolarHBondContact OH-CD 3.42Å; Y758-R769 PolarHBondContact OH-NE 2.63Å; Y758-R769 PolarHBondContact OH-NH1 2.9Å
759Q86.3Confident88.5Confident133 Ų13366.2 Ų66.262%0.62134%0.339SS*.EExtended strand (participates in β ladder)trans-147.8150.7-178.8-167.5172.939.800110.8A761 W766 E767Q759-A761 PolarHBondContact O-N 3.16Å; Q759-W766 VanDerWaalsContact C-CE3 3.47Å; Q759-W766 CarbonylContact O-C 3.57Å; Q759-W766 WeakPolarHBondContact O-CA 3.44Å; Q759-E767 PolarHBondContact N-O 2.91Å; Q759-E767 PolarHBondContact O-N 3.04Å
760R86.7Confident88.4Confident104 Ų10467.1 Ų67.139%0.39234%0.343SS..EExtended strand (participates in β ladder)trans-82105.8172.9-173.8166.7166.1132.5-7.9109.1S762 D763 W766 H779R760-S762 WeakPolarHBondContact CG-O 3.32Å; R760-D763 IonicContact CZ-OD1 3.96Å; R760-D763 IonicContact NE-OD1 3.05Å; R760-D763 IonicContact NH2-OD1 2.84Å; R760-D763 PolarHBondContact NH2-OD1 3.07Å; R760-W766 HydrophobicContact CB-CD2 4.06Å; R760-W766 HydrophobicContact CB-CE3 3.94Å; R760-W766 HydrophobicContact CB-CH2 4.05Å; R760-W766 HydrophobicContact CB-CZ2 4.14Å; R760-W766 HydrophobicContact CB-CZ3 3.94Å; R760-W766 HydrophobicContact CG-CD2 4.42Å; R760-W766 HydrophobicContact CG-CZ2 4.31Å; R760-H779 PolarHBondContact NH1-CD2 3.47Å; R760-H779 PolarHBondContact NH1-NE2 3.44Å; R760-H779 VanDerWaalsContact NH1-NE2 3.12Å
761A77.8Confident88Confident53 Ų5367.7 Ų67.744%0.43835%0.352SS..EExtended strand (participates in β ladder)trans-77.1-26.6-178.100000112.9Q759 W765 E767 L776Q759-A761 PolarHBondContact O-N 3.16Å; A761-W765 PolarHBondContact N-O 3.16Å; A761-E767 HydrophobicContact CB-CG 4.19Å; A761-L776 HydrophobicContact CB-CD2 4.09Å
762S81.9Confident87.5Confident55 Ų5563.9 Ų63.939%0.38535%0.353SS..EExtended strand (participates in β ladder)trans-162179.9168.361.20000109.7R760 D764 W765R760-S762 WeakPolarHBondContact CG-O 3.32Å; S762-D764 PolarHBondContact O-N 3.01Å; S762-W765 PolarHBondContact N-O 3.18Å; S762-W765 PolarHBondContact O-N 3.09Å; S762-W765 WeakPolarHBondContact OG-CB 3.45Å; S762-W765 PolarHBondContact OG-N 2.87Å
763D72.8Confident87.6Confident117 Ų11766.5 Ų66.563%0.62635%0.353SS*.THydrogen-bonded Turntrans-60.8-28.2179-77.5-44.4000114.7R760 H779R760-D763 IonicContact CZ-OD1 3.96Å; R760-D763 IonicContact NE-OD1 3.05Å; R760-D763 IonicContact NH2-OD1 2.84Å; R760-D763 PolarHBondContact NH2-OD1 3.07Å; D763-H779 PolarHBondContact O-CD2 2.88Å
764D85.1Confident87.6Confident80 Ų8069.8 Ų69.843%0.42837%0.368SS..THydrogen-bonded Turntrans-98.2-9.1178.5-75.4-51.4000113.9S762 P778 H779 Q780S762-D764 PolarHBondContact O-N 3.01Å; D764-P778 CarbonylContact O-C 3.53Å; D764-P778 WeakPolarHBondContact O-CA 3.41Å; D764-H779 PolarHBondContact O-N 2.99Å; D764-Q780 PolarHBondContact OD1-NE2 3.04Å
765W90.6Very high87.5Confident68 Ų6867 Ų6726%0.25835%0.351SS..EExtended strand (participates in β ladder)trans-139.6139.3-168.5-62.593.7000114.8Y739 E746 A761 S762 L776 P778Y739-W765 WeakPolarHBondContact OH-CH2 3.5Å; E746-W765 HydrophobicContact CG-CH2 3.75Å; E746-W765 HydrophobicContact CG-CZ3 3.8Å; A761-W765 PolarHBondContact N-O 3.16Å; S762-W765 PolarHBondContact N-O 3.18Å; S762-W765 PolarHBondContact O-N 3.09Å; S762-W765 WeakPolarHBondContact OG-CB 3.45Å; S762-W765 PolarHBondContact OG-N 2.87Å; W765-L776 HydrophobicContact CE3-CB 3.75Å; W765-L776 HydrophobicContact CZ3-CB 4.1Å; W765-P778 HydrophobicContact CD2-CB 4.49Å; W765-P778 HydrophobicContact CE3-CB 3.98Å; W765-P778 HydrophobicContact CH2-CB 4.23Å; W765-P778 HydrophobicContact CZ3-CB 3.85Å; W765-P778 HydrophobicContact CZ3-CG 4.07Å
766W93Very high87.5Confident29 Ų2968.9 Ų68.911%0.1136%0.361CS..EExtended strand (participates in β ladder)trans-112.1141.5170.6-69.680.7000110.6I731 L757 Q759 R760 L776 I777 H779I731-W766 HydrophobicContact CD1-CH2 4.31Å; I731-W766 HydrophobicContact CD1-CZ3 4.23Å; L757-W766 HydrophobicContact CB-CD2 4.35Å; L757-W766 HydrophobicContact CB-CE3 3.8Å; L757-W766 HydrophobicContact CB-CZ3 4.3Å; L757-W766 HydrophobicContact CD1-CD2 3.79Å; L757-W766 HydrophobicContact CD1-CE3 3.94Å; L757-W766 HydrophobicContact CD1-CG 4.13Å; L757-W766 HydrophobicContact CD1-CZ3 4.34Å; L757-W766 HydrophobicContact CD2-CB 3.99Å; L757-W766 HydrophobicContact CD2-CG 4.28Å; L757-W766 HydrophobicContact CG-CD2 4.49Å; L757-W766 HydrophobicContact CG-CE3 4.4Å; Q759-W766 VanDerWaalsContact C-CE3 3.47Å; Q759-W766 CarbonylContact O-C 3.57Å; Q759-W766 WeakPolarHBondContact O-CA 3.44Å; R760-W766 HydrophobicContact CB-CD2 4.06Å; R760-W766 HydrophobicContact CB-CE3 3.94Å; R760-W766 HydrophobicContact CB-CH2 4.05Å; R760-W766 HydrophobicContact CB-CZ2 4.14Å; R760-W766 HydrophobicContact CB-CZ3 3.94Å; R760-W766 HydrophobicContact CG-CD2 4.42Å; R760-W766 HydrophobicContact CG-CZ2 4.31Å; W766-L776 CarbonylContact O-C 3.55Å; W766-L776 VanDerWaalsContact O-CA 3.31Å; W766-L776 WeakPolarHBondContact O-CA 3.18Å; W766-I777 HydrophobicContact CB-CB 4.45Å; W766-I777 PolarHBondContact N-O 3.42Å; W766-I777 PolarHBondContact O-N 3Å; W766-H779 AromaticContact CD1-ND1 3.97Å; W766-H779 AromaticContact NE1-CE1 3.94Å; W766-H779 AromaticContact NE1-CG 3.52Å; W766-H779 AromaticContact NE1-ND1 3.2Å; W766-H779 PolarHBondContact NE1-ND1 3.24Å
767E92Very high87.6Confident100 Ų10066.7 Ų66.747%0.46735%0.349SS..EExtended strand (participates in β ladder)trans-79133.5156.8-79.6179.2-167.400109.1Y758 Q759 A761 L776Y758-E767 PolarHBondContact N-O 3.45Å; Q759-E767 PolarHBondContact N-O 2.91Å; Q759-E767 PolarHBondContact O-N 3.04Å; A761-E767 HydrophobicContact CB-CG 4.19Å; E767-L776 HydrophobicContact CG-CD2 3.75Å
768G92.3Very high87.6Confident1 Ų167.1 Ų67.11%0.0135%0.352CS..EExtended strand (participates in β ladder)trans-168.4-174.1-17700000112.9L747 L756 D774 G775L747-G768 WeakPolarHBondContact CD1-O 3.36Å; L756-G768 CarbonylContact O-C 3.36Å; L756-G768 WeakPolarHBondContact O-CA 3.43Å; G768-D774 WeakPolarHBondContact O-CA 3.45Å; G768-G775 PolarHBondContact N-O 3.4Å; G768-G775 PolarHBondContact O-N 3.21Å
769R91.9Very high87.8Confident98 Ų9866.2 Ų66.237%0.3735%0.35SS..EExtended strand (participates in β ladder)trans-126.2135.9-175.5-176.6172.3-75.1160.18.3111.5L756 Y758 I773 D774L756-R769 HydrophobicContact CB-CB 4.38Å; L756-R769 PolarHBondContact N-O 3.46Å; L756-R769 VanDerWaalsContact N-O 3.12Å; L756-R769 PolarHBondContact O-N 2.87Å; Y758-R769 HydrophobicContact CE2-CB 3.86Å; Y758-R769 WeakPolarHBondContact OH-CB 3.4Å; Y758-R769 WeakPolarHBondContact OH-CD 3.42Å; Y758-R769 PolarHBondContact OH-NE 2.63Å; Y758-R769 PolarHBondContact OH-NH1 2.9Å; R769-I773 WeakPolarHBondContact CA-O 3.42Å; R769-D774 WeakPolarHBondContact CB-OD1 3.34Å; R769-D774 IonicContact CZ-OD1 3.73Å; R769-D774 VanDerWaalsContact CZ-OD1 3.23Å; R769-D774 IonicContact CZ-OD2 3.34Å; R769-D774 IonicContact NE-OD1 3.69Å; R769-D774 PolarHBondContact NE-OD1 3.23Å; R769-D774 IonicContact NE-OD2 2.65Å; R769-D774 VanDerWaalsContact NH2-CG 3.29Å; R769-D774 IonicContact NH2-OD1 2.62Å; R769-D774 PolarHBondContact NH2-OD1 3.44Å; R769-D774 IonicContact NH2-OD2 2.64Å; R769-D774 PolarHBondContact NH2-OD2 2.71Å
770H91.7Very high88Confident25 Ų2566.2 Ų66.212%0.11635%0.35CS..EExtended strand (participates in β ladder)trans-134.6127.7169.8179.4-128.9000109.4L747 S748 F749 L755 G772 I773L747-H770 HydrophobicContact CB-CB 4.44Å; L747-H770 HydrophobicContact CD1-CB 4Å; S748-H770 PolarHBondContact O-CE1 3.22Å; S748-H770 VanDerWaalsContact O-CE1 3.26Å; S748-H770 PolarHBondContact O-ND1 2.94Å; F749-H770 VanDerWaalsContact CB-CE1 3.48Å; F749-H770 WeakPolarHBondContact CB-CE1 3.48Å; L755-H770 HydrophobicContact CD2-CB 3.64Å; H770-G772 PolarHBondContact O-N 3.1Å; H770-G772 VanDerWaalsContact O-N 3.09Å; H770-I773 PolarHBondContact N-O 3.24Å; H770-I773 PolarHBondContact O-N 3.29Å
771N84.6Confident88.2Confident143 Ų14365.1 Ų65.177%0.76535%0.347SS*.THydrogen-bonded Turntrans50.132.6-178.6-63.4-35.5000115.2
772G80.4Confident88.9Confident61 Ų6163.2 Ų63.263%0.62933%0.329SS*.THydrogen-bonded Turntrans83.16.8179.500000115.5H770H770-G772 PolarHBondContact O-N 3.1Å; H770-G772 VanDerWaalsContact O-N 3.09Å
773I86.3Confident89.3Confident111 Ų11164.3 Ų64.357%0.56933%0.333SS*.EExtended strand (participates in β ladder)trans-107.9131.7173.9-51.6178.9000108.5L747 R769 H770L747-I773 HydrophobicContact CD2-CB 3.98Å; L747-I773 HydrophobicContact CD2-CG2 3.78Å; L747-I773 WeakPolarHBondContact CD2-O 3.39Å; R769-I773 WeakPolarHBondContact CA-O 3.42Å; H770-I773 PolarHBondContact N-O 3.24Å; H770-I773 PolarHBondContact O-N 3.29Å
774D91Very high90Very high88 Ų8860.8 Ų60.847%0.47132%0.316SS..EExtended strand (participates in β ladder)trans-89.4144.2176-64.3-32.4000111.4G768 R769G768-D774 WeakPolarHBondContact O-CA 3.45Å; R769-D774 WeakPolarHBondContact CB-OD1 3.34Å; R769-D774 IonicContact CZ-OD1 3.73Å; R769-D774 VanDerWaalsContact CZ-OD1 3.23Å; R769-D774 IonicContact CZ-OD2 3.34Å; R769-D774 IonicContact NE-OD1 3.69Å; R769-D774 PolarHBondContact NE-OD1 3.23Å; R769-D774 IonicContact NE-OD2 2.65Å; R769-D774 VanDerWaalsContact NH2-CG 3.29Å; R769-D774 IonicContact NH2-OD1 2.62Å; R769-D774 PolarHBondContact NH2-OD1 3.44Å; R769-D774 IonicContact NH2-OD2 2.64Å; R769-D774 PolarHBondContact NH2-OD2 2.71Å
775G90.4Very high89.6Confident15 Ų1561.8 Ų61.816%0.15532%0.318CS..EExtended strand (participates in β ladder)trans168.6-169178.100000113.4R745 G768R745-G775 CarbonylContact O-C 3.48Å; R745-G775 VanDerWaalsContact O-CA 3.28Å; R745-G775 WeakPolarHBondContact O-CA 3.45Å; G768-G775 PolarHBondContact N-O 3.4Å; G768-G775 PolarHBondContact O-N 3.21Å
776L92.1Very high87.9Confident41 Ų4166 Ų6622%0.21535%0.345CS..EExtended strand (participates in β ladder)trans-86.5134.1-174.5-63.2171.7000111.8R745 L747 A761 W765 W766 E767R745-L776 HydrophobicContact CB-CD1 4.35Å; R745-L776 PolarHBondContact O-N 3.1Å; L747-L776 PolarHBondContact N-O 3.34Å; A761-L776 HydrophobicContact CB-CD2 4.09Å; W765-L776 HydrophobicContact CE3-CB 3.75Å; W765-L776 HydrophobicContact CZ3-CB 4.1Å; W766-L776 CarbonylContact O-C 3.55Å; W766-L776 VanDerWaalsContact O-CA 3.31Å; W766-L776 WeakPolarHBondContact O-CA 3.18Å; E767-L776 HydrophobicContact CG-CD2 3.75Å
777I93.8Very high85.4Confident0 Ų071.2 Ų71.20%038%0.381CS..EExtended strand (participates in β ladder)trans-123.5120.8-178.1-59.9178.1000108.1L747 F749 L755 L757 W766 H779 I782L747-I777 HydrophobicContact CB-CG1 4.31Å; L747-I777 HydrophobicContact CD1-CD1 3.98Å; L747-I777 HydrophobicContact CD1-CG1 3.83Å; F749-I777 HydrophobicContact CE1-CG2 3.85Å; F749-I777 HydrophobicContact CZ-CG2 4Å; L755-I777 HydrophobicContact CB-CD1 4.2Å; L755-I777 HydrophobicContact CD1-CG2 3.97Å; L755-I777 HydrophobicContact CD2-CD1 4.3Å; L757-I777 HydrophobicContact CD2-CB 4.47Å; L757-I777 HydrophobicContact CD2-CD1 3.92Å; L757-I777 HydrophobicContact CD2-CG2 4.32Å; W766-I777 HydrophobicContact CB-CB 4.45Å; W766-I777 PolarHBondContact N-O 3.42Å; W766-I777 PolarHBondContact O-N 3Å; I777-H779 PolarHBondContact O-N 3.08Å; I777-I782 HydrophobicContact CG2-CD1 4.03Å; I777-I782 HydrophobicContact CG2-CG2 3.69Å
778P92.4Very high82.7Confident9 Ų975.9 Ų75.96%0.05840%0.403CS..EExtended strand (participates in β ladder)trans-74.5125.8-177.125.7-30.4000112Y739 F749 D764 W765 Q780 Y781Y739-P778 HydrophobicContact CD1-CG 3.83Å; Y739-P778 HydrophobicContact CD2-CG 3.8Å; Y739-P778 HydrophobicContact CE1-CG 3.78Å; Y739-P778 HydrophobicContact CE2-CG 3.75Å; Y739-P778 HydrophobicContact CG-CG 3.84Å; F749-P778 HydrophobicContact CZ-CG 4.29Å; D764-P778 CarbonylContact O-C 3.53Å; D764-P778 WeakPolarHBondContact O-CA 3.41Å; W765-P778 HydrophobicContact CD2-CB 4.49Å; W765-P778 HydrophobicContact CE3-CB 3.98Å; W765-P778 HydrophobicContact CH2-CB 4.23Å; W765-P778 HydrophobicContact CZ3-CB 3.85Å; W765-P778 HydrophobicContact CZ3-CG 4.07Å; P778-Q780 VanDerWaalsContact C-N 3.32Å; P778-Q780 PolarHBondContact O-N 3.2Å; P778-Y781 HydrophobicContact CB-CD2 4.01Å; P778-Y781 HydrophobicContact CG-CD2 3.94Å; P778-Y781 HydrophobicContact CG-CG 4.09Å; P778-Y781 PolarHBondContact O-N 3.06Å; P778-Y781 VanDerWaalsContact O-N 3.1Å
779H91.7Very high80Confident59 Ų5983.8 Ų83.827%0.27345%0.445SS..G310 helixtrans-58.7-38.3-172.9-177.636.3000113.2R760 D763 D764 W766 I777 Y781 I782R760-H779 PolarHBondContact NH1-CD2 3.47Å; R760-H779 PolarHBondContact NH1-NE2 3.44Å; R760-H779 VanDerWaalsContact NH1-NE2 3.12Å; D763-H779 PolarHBondContact O-CD2 2.88Å; D764-H779 PolarHBondContact O-N 2.99Å; W766-H779 AromaticContact CD1-ND1 3.97Å; W766-H779 AromaticContact NE1-CE1 3.94Å; W766-H779 AromaticContact NE1-CG 3.52Å; W766-H779 AromaticContact NE1-ND1 3.2Å; W766-H779 PolarHBondContact NE1-ND1 3.24Å; I777-H779 PolarHBondContact O-N 3.08Å; H779-Y781 PolarHBondContact O-N 3.33Å; H779-I782 VanDerWaalsContact O-CG1 3.3Å; H779-I782 WeakPolarHBondContact O-CG1 3.31Å; H779-I782 PolarHBondContact O-N 3.25Å
780Q90.6Very high77Confident133 Ų13381.5 Ų81.562%0.62145%0.451SS*.G310 helixtrans-68.5-15-178.3-55.4-175.217.300113.8D764 P778D764-Q780 PolarHBondContact OD1-NE2 3.04Å; P778-Q780 VanDerWaalsContact C-N 3.32Å; P778-Q780 PolarHBondContact O-N 3.2Å
781Y90.3Very high74Confident82 Ų8286.6 Ų86.632%0.32248%0.484SS..G310 helixtrans-97.8-0.4-177-74.9-110000113.2A735 K736 F737 Y739 P778 H779A735-Y781 CarbonylContact C-O 3.5Å; K736-Y781 WeakPolarHBondContact CB-O 3.43Å; K736-Y781 PolarHBondContact N-O 2.73Å; F737-Y781 HydrophobicContact CB-CD1 3.87Å; F737-Y781 HydrophobicContact CB-CE1 4.3Å; F737-Y781 HydrophobicContact CD2-CD1 4.45Å; Y739-Y781 AromaticContact CD2-CD1 3.72Å; Y739-Y781 HydrophobicContact CD2-CD1 3.72Å; Y739-Y781 HydrophobicContact CD2-CD2 4.38Å; Y739-Y781 AromaticContact CD2-CE1 3.73Å; Y739-Y781 HydrophobicContact CD2-CE1 3.73Å; Y739-Y781 HydrophobicContact CD2-CE2 4.4Å; Y739-Y781 HydrophobicContact CD2-CG 4.08Å; Y739-Y781 HydrophobicContact CE2-CE1 4.49Å; Y739-Y781 HydrophobicContact CG-CD1 4.29Å; P778-Y781 HydrophobicContact CB-CD2 4.01Å; P778-Y781 HydrophobicContact CG-CD2 3.94Å; P778-Y781 HydrophobicContact CG-CG 4.09Å; P778-Y781 PolarHBondContact O-N 3.06Å; P778-Y781 VanDerWaalsContact O-N 3.1Å; H779-Y781 PolarHBondContact O-N 3.33Å
782I92.1Very high71.4Confident12 Ų1286.1 Ų86.16%0.06249%0.486CS..EExtended strand (participates in β ladder)trans-127.1162.6-174.665.5175.3000111.6A733 I734 F749 L755 L757 I777 H779A733-I782 HydrophobicContact CB-CB 4.34Å; A733-I782 HydrophobicContact CB-CD1 4.12Å; I734-I782 CarbonylContact O-C 3.54Å; I734-I782 WeakPolarHBondContact O-CA 3.45Å; F749-I782 HydrophobicContact CE2-CG2 4.37Å; F749-I782 HydrophobicContact CZ-CG2 4.2Å; L755-I782 HydrophobicContact CD1-CG2 3.45Å; L755-I782 VanDerWaalsContact CD1-CG2 3.45Å; L757-I782 HydrophobicContact CD1-CD1 3.72Å; L757-I782 HydrophobicContact CD2-CD1 3.83Å; L757-I782 HydrophobicContact CG-CD1 4.39Å; I777-I782 HydrophobicContact CG2-CD1 4.03Å; I777-I782 HydrophobicContact CG2-CG2 3.69Å; H779-I782 VanDerWaalsContact O-CG1 3.3Å; H779-I782 WeakPolarHBondContact O-CG1 3.31Å; H779-I782 PolarHBondContact O-N 3.25Å
783V89.6Confident68.9Low79 Ų7990.2 Ų90.248%0.47949%0.489SS..EExtended strand (participates in β ladder)trans-125.1122.6168.4179.90000107.5A733 I734 K736A733-V783 CarbonylContact C-O 3.59Å; A733-V783 WeakPolarHBondContact CA-O 3.27Å; A733-V783 WeakPolarHBondContact CB-O 3.48Å; I734-V783 PolarHBondContact N-O 3.27Å; I734-V783 PolarHBondContact O-N 3.44Å; K736-V783 HydrophobicContact CB-CG2 4.3Å; K736-V783 HydrophobicContact CD-CG2 4.24Å
784V87.3Confident66Low42 Ų4295.2 Ų95.226%0.25550%0.5SS..EExtended strand (participates in β ladder)trans-79141.5176.31790000108.7I731 L757I731-V784 HydrophobicContact CG2-CG1 3.54Å; L757-V784 HydrophobicContact CD1-CG2 3.99Å
785Q76.6Confident62.7Low102 Ų10296.8 Ų96.848%0.47752%0.518SS..PPolyproline II helixtrans-97.6119.5171.5-62.6-172.922.200109.8E732 I734E732-Q785 PolarHBondContact O-N 3.29Å; E732-Q785 VanDerWaalsContact O-N 3.17Å; I734-Q785 VanDerWaalsContact CD1-NE2 3.3Å
786D54.9Low59.6Low155 Ų155101.6 Ų101.683%0.82955%0.549SS*.PPolyproline II helixtrans-76.2135.7177.9-63.7-40.6000111.2
787T41.1Very low56.8Low139 Ų139105.6 Ų105.685%0.85358%0.578SS**PPolyproline II helixtrans-102131.8170.641.10000110.5
788E35.8Very low53.6Low199 Ų199115 Ų11593%0.9362%0.619SS**PPolyproline II helixtrans-96.1128.9-173.7-63.3-173.9143.900114.3
789D35.3Very low50.3Low167 Ų167119.9 Ų119.989%0.89365%0.653SS**  trans-173.4167.2135-145.719.6000108.6
790G28.9Very low47.1Very low49 Ų49125.5 Ų125.551%0.50568%0.68SS.*  cis178.4100.8-5.300000116.5
791V28.9Very low44Very low133 Ų133127 Ų12781%0.80669%0.69SS**  trans70.9136.8149.4-164.20000115.7
792V30.3Very low40.9Very low132 Ų132132.4 Ų132.480%0.872%0.718SS**  -156.111368.8179.50000114.5
793E27.1Very low37.8Very low148 Ų148138.1 Ų138.169%0.69275%0.754SS**  trans13.8128.3134.7-144.6-169-11500123.2
794R25.4Very low34.6Very low215 Ų215142.4 Ų142.481%0.81177%0.77SS**  165.8113.7106.3-89.1-175179.5-171.30.5116.9
795S22.6Very low31.5Very low122 Ų122144.9 Ų144.985%0.85379%0.79SS**  159.6136.5113.3540000113.7
796S25.4Very low29.1Very low115 Ų115148.5 Ų148.580%0.80481%0.807SS**  trans-148.3156.6175-580000110.2
797P33.5Very low28.2Very low126 Ų126146.6 Ų146.682%0.81880%0.802SS**  -141.5122.3106.830.7-14.1000112.7
798K26.1Very low27.6Very low197 Ų197145.7 Ų145.786%0.85780%0.799SS**  85.7108.881.1-93-153.9176.7-164.10116.2
799S22.8Very low27.4Very low111 Ų111145 Ų14578%0.77680%0.796SS**  177.3143.9128.736.60000107.9
800E24.1Very low26.8Very low178 Ų178144 Ų14483%0.83279%0.786SS**  cis-159.5143.5-12.5-111.8171.4-160.600107.2
801I25.1Very low26.5Very low164 Ų164149.2 Ų149.284%0.84180%0.795SS**  trans171.6123.5149.4-90.8153.3000106.9
802E24.9Very low26.2Very low196 Ų196148.5 Ų148.592%0.91679%0.79SS**  trans-94.4142.5174.1-70.8-179.4143.700110.6
803V27Very low25.8Very low132 Ų132148.3 Ų148.380%0.879%0.79SS**  trans-112.5153166.4173.40000107.7
804M23.2Very low25.6Very low168 Ų168146.5 Ų146.583%0.82880%0.8SS**  trans143140.8159.9-78.3-80.5-75.300107.9
805S22.7Very low25.5Very low95 Ų95146.8 Ų146.866%0.66480%0.801SS**  cis-168.2169-1.149.90000109.6
806E26.9Very low25.7Very low178 Ų178147.6 Ų147.683%0.83280%0.801SS**  trans-60.4168.5154.3-73.2-167.3144.600110.9
807P34.9Very low25.5Very low114 Ų114145.8 Ų145.874%0.7480%0.8SS**  cis-129.6-148.415.939.7-16.9000110.9
808P29.6Very low25.1Very low120 Ų120144.9 Ų144.978%0.77980%0.804SS**  cis-138.2-174.1-3.743-23.1000117.2
809E29.6Very low25.1Very low185 Ų185141.3 Ų141.386%0.86480%0.803SS**  trans-70.6132.8170.5-57-179.4124.100113.9
810E23.3Very low25.1Very low147 Ų147141.9 Ų141.969%0.68781%0.806SS**  170.3146.4111.4-104.2-144.8136.100114.2
811K23Very low25.3Very low158 Ų158139.3 Ų139.369%0.68781%0.805SS**  trans66.8114.6148-78.1-171.1178.377.60122.1
812V21.5Very low25.6Very low118 Ų118137.5 Ų137.572%0.71581%0.806SS**  121128.2113.4160.60000119.7
813T22Very low25.9Very low128 Ų128132.2 Ų132.279%0.78581%0.805SS**  trans69108164.143.20000121.4
814A23.7Very low26.3Very low109 Ų109128.7 Ų128.790%0.90180%0.795SS**  trans-113.8142.1132.300000108.9
815R24Very low27.1Very low222 Ų222128 Ų12884%0.83879%0.789SS**  trans-118.9128.5-174.2-149.4-177.6-167.81803.9110.3
816T25.3Very low27.8Very low138 Ų138127.8 Ų127.885%0.84778%0.784SS**  trans60.9115.4155.342.90000120.1
817G22.9Very low28.3Very low77 Ų77121.4 Ų121.479%0.79476%0.762SS**  trans-172.777.816600000113.8
818A25.1Very low28.4Very low108 Ų108120.4 Ų120.489%0.89375%0.75SS**  trans39.2110.9164.600000120.3
819S25.2Very low28.9Very low121 Ų121119.9 Ų119.985%0.84674%0.74SS**PPolyproline II helixtrans-101.9139.4171.4-50.50000112.7
820C22Very low29.2Very low123 Ų123114.8 Ų114.883%0.83171%0.713SS**PPolyproline II helixtrans-71.4144.1163.9-70.10000111
821P29.9Very low30Very low125 Ų125112.5 Ų112.581%0.81271%0.705SS**PPolyproline II helixtrans-84.1119.5177.431.9-31.8000111.8G823P821-G823 PolarHBondContact O-N 2.84Å
822S29.8Very low30.7Very low125 Ų125107.8 Ų107.887%0.87470%0.695SS**PPolyproline II helixtrans-66.7116.9171.5-54.30000111.1
823G32.5Very low31.4Very low86 Ų86107.3 Ų107.389%0.88769%0.689SS**PPolyproline II helixtrans-78.5117.5171.400000111.2P821P821-G823 PolarHBondContact O-N 2.84Å
824G35.2Very low32.2Very low58 Ų58107.1 Ų107.160%0.59868%0.682SS**  trans-178.338.7-177.400000115.7
825H40.4Very low32.8Very low152 Ų152108.4 Ų108.470%0.70467%0.674SS**  trans-143.646.5-174.1-1006.7000114.4D828H825-D828 IonicContact ND1-OD2 2.76Å
826V37.4Very low33.4Very low92 Ų92106.1 Ų106.156%0.55867%0.67SS**SBendtrans-123-41170.8-173.50000112D828V826-D828 PolarHBondContact O-N 3.17Å
827A36.1Very low34Very low44 Ų44102.5 Ų102.536%0.36466%0.66SS.*Hα-helixtrans-61.3-45.2-18000000113.3I269 I829 Y830 L831I269-A827 HydrophobicContact CD1-CB 4.41Å; A827-I829 VanDerWaalsContact C-N 3.31Å; A827-I829 PolarHBondContact O-N 2.9Å; A827-Y830 PolarHBondContact O-N 3.36Å; A827-Y830 VanDerWaalsContact O-N 3.14Å; A827-L831 PolarHBondContact O-N 3.16Å
828D37.6Very low34.6Very low93 Ų93106.2 Ų106.250%0.49766%0.66SS.*Hα-helixtrans-63-35.8-176.1-57.1-41.4000113H825 V826 Y830 A832H825-D828 IonicContact ND1-OD2 2.76Å; V826-D828 PolarHBondContact O-N 3.17Å; D828-Y830 VanDerWaalsContact C-N 3.31Å; D828-Y830 PolarHBondContact O-N 2.67Å; D828-A832 VanDerWaalsContact O-CB 3.26Å; D828-A832 WeakPolarHBondContact O-CB 3.43Å; D828-A832 PolarHBondContact O-N 3.47Å
829I39.7Very low35.1Very low109 Ų109107 Ų10756%0.55966%0.656SS**Hα-helixtrans-70.1-32.1179.9-59.2178.1000110.7A827 N833A827-I829 VanDerWaalsContact C-N 3.31Å; A827-I829 PolarHBondContact O-N 2.9Å; I829-N833 PolarHBondContact O-ND2 3.25Å
830Y36.9Very low35.4Very low78 Ų78113.2 Ų113.231%0.30666%0.661SS.*Hα-helixtrans-73.8-47.2176.3-129.3-94.5000111.2N261 F265 A827 D828 A832 N833N261-Y830 WeakPolarHBondContact CB-OH 3.27Å; N261-Y830 PolarHBondContact OD1-OH 3.49Å; F265-Y830 HydrophobicContact CD2-CD1 4.28Å; A827-Y830 PolarHBondContact O-N 3.36Å; A827-Y830 VanDerWaalsContact O-N 3.14Å; D828-Y830 VanDerWaalsContact C-N 3.31Å; D828-Y830 PolarHBondContact O-N 2.67Å; Y830-A832 VanDerWaalsContact C-N 3.33Å; Y830-A832 PolarHBondContact O-N 3.35Å; Y830-N833 PolarHBondContact O-N 3.15Å
831L40.4Very low35.8Very low99 Ų99112.5 Ų112.552%0.51866%0.657SS.*Hα-helixtrans-63.9-33.2178.5-75.6163.2000113.5A827 N833 N835A827-L831 PolarHBondContact O-N 3.16Å; L831-N833 VanDerWaalsContact C-N 3.29Å; L831-N833 PolarHBondContact O-N 2.94Å; L831-N835 PolarHBondContact O-ND2 2.98Å
832A37.5Very low36.1Very low58 Ų58112.7 Ų112.748%0.47966%0.658SS.*Hα-helixtrans-69.5-20.4178.800000114.5D828 Y830D828-A832 VanDerWaalsContact O-CB 3.26Å; D828-A832 WeakPolarHBondContact O-CB 3.43Å; D828-A832 PolarHBondContact O-N 3.47Å; Y830-A832 VanDerWaalsContact C-N 3.33Å; Y830-A832 PolarHBondContact O-N 3.35Å
833N35.3Very low36.3Very low109 Ų109111.1 Ų111.158%0.58365%0.653SS**Hα-helixtrans-92.3-28.5-176.3-78.7-46.4000113.9I829 Y830 L831I829-N833 PolarHBondContact O-ND2 3.25Å; Y830-N833 PolarHBondContact O-N 3.15Å; L831-N833 VanDerWaalsContact C-N 3.29Å; L831-N833 PolarHBondContact O-N 2.94Å
834I40Very low36.1Very low123 Ų123116.4 Ų116.463%0.63165%0.654SS**Hα-helixtrans-73.3-33.1-179.8-65.8169.2000111.7K836I834-K836 PolarHBondContact O-N 3.49Å
835N34.4Very low35.9Very low137 Ų137122.1 Ų122.173%0.73367%0.665SS**THydrogen-bonded Turntrans-74.211.4-172.7-80.5-57000116.5L831L831-N835 PolarHBondContact O-ND2 2.98Å
836K37.7Very low35.3Very low174 Ų174122.9 Ų122.976%0.75767%0.674SS**THydrogen-bonded Turntrans-99.610.8-174.5-81.1178.2-179.6160.40115.9I834I834-K836 PolarHBondContact O-N 3.49Å
837G37.8Very low35.1Very low61 Ų61123.6 Ų123.663%0.62968%0.68SS**SBendtrans-154.949-169.300000119.3
838I35.9Very low34.8Very low155 Ų155127.8 Ų127.880%0.79570%0.704SS**  trans-146.3135.8156.6-82.2114000109.2
839P34.4Very low34.4Very low125 Ų125129 Ų12981%0.81272%0.719SS**PPolyproline II helixtrans-79.1135.3167.90.616.9000111.1
840R33Very low34.1Very low251 Ų251132.8 Ų132.895%0.94774%0.735SS**PPolyproline II helixtrans-75.9136.8175.1-72.3-179.8172.2176.7-4.1112
841S29Very low33.8Very low108 Ų108138.5 Ų138.576%0.75576%0.764SS**PPolyproline II helixtrans-101.9156.5157.254.20000110.1
842P36.6Very low33.3Very low130 Ų130138.8 Ų138.884%0.84478%0.78SS**PPolyproline II helixtrans-80.2167.7-163.932.4-36.3000114.8
843A33.8Very low33.2Very low91 Ų91144.1 Ų144.175%0.75280%0.8SS**PPolyproline II helixtrans-74.6160.1-168.900000115.1
844H29.1Very low33Very low198 Ų198150.6 Ų150.692%0.91782%0.816SS**  trans-124127.3151.2-109-75.9000108.2
845E32Very low32.6Very low177 Ų177153 Ų15383%0.82783%0.83SS**  trans-81.8156.7175.8-59.8170.8133.600111.2
846L27.2Very low32.5Very low169 Ų169154.6 Ų154.689%0.88584%0.837SS**  trans-173.3162.3148.6-96.7162.4000107.8
847P33.3Very low32.4Very low107 Ų107155.4 Ų155.470%0.69584%0.844SS**  trans-107.2176.7-136.96.418.3000114.4
848P30.3Very low32.2Very low132 Ų132164.3 Ų164.386%0.85788%0.877SS**  trans-81142.1-17432.8-35.1000113.6
849S29Very low32Very low118 Ų118164.8 Ų164.883%0.82588%0.881SS**  trans-100115.8171.254.60000111.4
850Q31.9Very low31.9Very low189 Ų189166.9 Ų166.988%0.88389%0.885SS**  trans-77.7177.4154.4-77.6-179.5-38.300110.1
851E31.9Very low31.9Very low198 Ų198162.2 Ų162.293%0.92588%0.881SS**  trans83.992.4176.4-54.3-166.4139.900117.6
852A29.9Very low32Very low104 Ų104165.4 Ų165.486%0.8689%0.889SS**  trans-15967.4155.100000111.4
853L33.9Very low31.7Very low170 Ų170167.6 Ų167.689%0.8989%0.892SS**  trans-150.352.4174-124.8178.7000114.4
854R32.7Very low31.6Very low245 Ų245172.7 Ų172.793%0.92590%0.901SS**  trans-150.5113158.5-74.8-165.1177.6177.2-0.9109.9
855L31.5Very low31.8Very low175 Ų175170.9 Ų170.992%0.91690%0.9SS**  trans-174.378.1151.5-100.4-174.8000109.5
856L32.5Very low31.8Very low170 Ų170170.5 Ų170.589%0.8991%0.905SS**  trans-150.385.5158.7-94.8179.4000107.2
857E34.5Very low32.2Very low190 Ų190170.6 Ų170.689%0.88891%0.907SS**  trans178.399.6150.6-104.1170.3-163.800109.7
858N34.5Very low32.1Very low249 Ų249176.4 Ų176.4100%1.33293%0.926SS**  trans-175.10150.7-97.7-26.8000108.1

Retrieved 858 of 858 residues in 218.3 ms (Link to these results)

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