A0A075B7B5_HUMAN Loading...

SLIT-ROBO Rho GTPase-activating protein 1

GTPase-activating protein for RhoA and Cdc42 small GTPases. Together with CDC42 seems to be involved in the pathway mediating the repulsive signaling of Robo and Slit proteins in neuronal migration. SLIT2, probably through interaction with ROBO1, increases the interaction of SRGAP1 with ROBO1 and inactivates CDC42.

AlphaFold DB , UniProt , Accession A0A075B7B5, Species HUMAN (Homo sapiens, Human), Gene SRGAP2, Length 789 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.8Very low61.9Low247 Ų247137.4 Ų137.4100%1.21773%0.725SS**  0102.90-67.9-162.3-178.900108.4S3M1-S3 PolarHBondContact O-N 3.24Å
2T35.4Very low64Low146 Ų146132.3 Ų132.390%0.89669%0.694SS**  trans-81106.1177.1330000108.7
3S35.3Very low65.8Low106 Ų106125.4 Ų125.474%0.74166%0.657SS**PPolyproline II helixtrans-55.1140.1167.8-159.10000108.8M1 A5M1-S3 PolarHBondContact O-N 3.24Å; S3-A5 PolarHBondContact O-N 3.23Å; S3-A5 VanDerWaalsContact O-N 3.13Å
4P45.6Very low67.6Low116 Ų116117.6 Ų117.675%0.75362%0.616SS**PPolyproline II helixtrans-54.8124.6178.921.2-31.1000109.3K6P4-K6 PolarHBondContact O-N 3.13Å; P4-K6 VanDerWaalsContact O-N 3.1Å
5A59.3Low69Low102 Ų102113.2 Ų113.284%0.84360%0.604SS**PPolyproline II helixtrans-55.1119.2-177.200000109.9S3 F7S3-A5 PolarHBondContact O-N 3.23Å; S3-A5 VanDerWaalsContact O-N 3.13Å; A5-F7 PolarHBondContact O-N 3.19Å
6K69.1Low70.4Confident157 Ų157111.7 Ų111.768%0.68359%0.592SS**PPolyproline II helixtrans-59.8130.3178.9-74.9-176176.8-178.70109.7P4 K8P4-K6 PolarHBondContact O-N 3.13Å; P4-K6 VanDerWaalsContact O-N 3.1Å; K6-K8 HydrophobicContact CB-CG 4Å; K6-K8 PolarHBondContact O-N 2.9Å
7F76.8Confident71.8Confident173 Ų173106.8 Ų106.876%0.75956%0.564SS**  trans-74.295.1168.7-177.8-92.2000108.8A5 K9A5-F7 PolarHBondContact O-N 3.19Å; F7-K9 HydrophobicContact CE1-CG 4.25Å
8K82.7Confident72.9Confident74 Ų74104.2 Ų104.232%0.32255%0.55SS.*  trans-94142.5-177.4-64-175.6168.1-173.80111.7K6 I13 E16K6-K8 HydrophobicContact CB-CG 4Å; K6-K8 PolarHBondContact O-N 2.9Å; K8-I13 HydrophobicContact CB-CD1 3.87Å; K8-I13 HydrophobicContact CB-CG1 3.64Å; K8-I13 HydrophobicContact CD-CG1 4.09Å; K8-E16 WeakPolarHBondContact CE-OE1 3.47Å; K8-E16 IonicContact NZ-OE1 3.71Å; K8-E16 PolarHBondContact NZ-OE1 3.13Å; K8-E16 IonicContact NZ-OE2 2.64Å; K8-E16 PolarHBondContact NZ-OE2 3.41Å
9K80.7Confident74.1Confident150 Ų150102.5 Ų102.565%0.65255%0.545SS*.  trans-103.4162.5171.6-69.2-174.5179.4178.20110.3F7 K11 E12 I13F7-K9 HydrophobicContact CE1-CG 4.25Å; K9-K11 VanDerWaalsContact C-N 3.29Å; K9-K11 PolarHBondContact O-N 3.36Å; K9-K11 VanDerWaalsContact O-N 3.13Å; K9-E12 PolarHBondContact O-N 3.17Å; K9-I13 PolarHBondContact O-N 3.22Å
10D81.5Confident75.1Confident61 Ų61103 Ų10333%0.32654%0.544SS..Hα-helixtrans-39.8-52.8-179.9177.766.3000113.7E12 I13 I14 H168D10-E12 VanDerWaalsContact C-N 3.29Å; D10-E12 PolarHBondContact O-N 3.03Å; D10-I13 PolarHBondContact O-N 3.08Å; D10-I14 VanDerWaalsContact O-CB 3.3Å; D10-I14 WeakPolarHBondContact O-CB 3.44Å; D10-I14 WeakPolarHBondContact O-CG1 3.41Å; D10-I14 PolarHBondContact O-N 3.3Å; D10-H168 HydrophobicContact CB-CB 4.06Å; D10-H168 IonicContact OD1-CE1 2.73Å; D10-H168 IonicContact OD1-CG 2.62Å; D10-H168 IonicContact OD1-ND1 3.83Å; D10-H168 PolarHBondContact OD1-ND1 3.25Å
11K81.8Confident76.1Confident179 Ų17998.5 Ų98.578%0.77852%0.52SS*.Hα-helixtrans-57.1-35.9-179.5-73.4-171.1173.8-173.40114.8K9 A15K9-K11 VanDerWaalsContact C-N 3.29Å; K9-K11 PolarHBondContact O-N 3.36Å; K9-K11 VanDerWaalsContact O-N 3.13Å; K11-A15 VanDerWaalsContact O-CB 3.23Å; K11-A15 WeakPolarHBondContact O-CB 3.45Å; K11-A15 PolarHBondContact O-N 3.46Å
12E86.8Confident79Confident76 Ų7692.6 Ų92.636%0.35549%0.488SS..Hα-helixtrans-77-45.8-177.8-170.9-178.5169.100110.7K9 D10 I14 A15 E16K9-E12 PolarHBondContact O-N 3.17Å; D10-E12 VanDerWaalsContact C-N 3.29Å; D10-E12 PolarHBondContact O-N 3.03Å; E12-I14 PolarHBondContact O-N 3.28Å; E12-A15 PolarHBondContact O-N 3.47Å; E12-E16 WeakPolarHBondContact O-CG 3.26Å; E12-E16 PolarHBondContact O-N 2.96Å
13I87.9Confident81.9Confident43 Ų4391.5 Ų91.522%0.22147%0.472CS..Hα-helixtrans-64.4-43.6179.4-58.7171.6000110.6K8 K9 D10 E16 Y17 M164K8-I13 HydrophobicContact CB-CD1 3.87Å; K8-I13 HydrophobicContact CB-CG1 3.64Å; K8-I13 HydrophobicContact CD-CG1 4.09Å; K9-I13 PolarHBondContact O-N 3.22Å; D10-I13 PolarHBondContact O-N 3.08Å; I13-E16 PolarHBondContact O-N 2.92Å; I13-Y17 WeakPolarHBondContact O-CB 3.49Å; I13-Y17 PolarHBondContact O-N 3.31Å; I13-M164 HydrophobicContact CG2-SD 4.43Å
14I90.3Very high84.9Confident16 Ų1687.4 Ų87.48%0.08244%0.442CS..Hα-helixtrans-66.9-37.4179.3-67.2-63000111.6D10 E12 D18 Y161 M164D10-I14 VanDerWaalsContact O-CB 3.3Å; D10-I14 WeakPolarHBondContact O-CB 3.44Å; D10-I14 WeakPolarHBondContact O-CG1 3.41Å; D10-I14 PolarHBondContact O-N 3.3Å; E12-I14 PolarHBondContact O-N 3.28Å; I14-D18 VanDerWaalsContact O-CB 3.24Å; I14-D18 WeakPolarHBondContact O-CB 3.1Å; I14-D18 PolarHBondContact O-N 3.02Å; I14-Y161 HydrophobicContact CD1-CD2 4.23Å; I14-Y161 HydrophobicContact CD1-CE2 4.22Å; I14-Y161 HydrophobicContact CG2-CD2 4.05Å; I14-Y161 HydrophobicContact CG2-CE2 3.23Å; I14-M164 HydrophobicContact CD1-CB 4.19Å; I14-M164 HydrophobicContact CD1-CE 3.86Å
15A89.3Confident87.3Confident52 Ų5288.2 Ų88.243%0.4343%0.43SS..Hα-helixtrans-68.6-40.6176.900000112.5K11 E12 T19K11-A15 VanDerWaalsContact O-CB 3.23Å; K11-A15 WeakPolarHBondContact O-CB 3.45Å; K11-A15 PolarHBondContact O-N 3.46Å; E12-A15 PolarHBondContact O-N 3.47Å; A15-T19 PolarHBondContact O-N 3.39Å; A15-T19 PolarHBondContact O-OG1 2.82Å
16E91.4Very high89.1Confident89 Ų8986 Ų8642%0.41641%0.411SS..Hα-helixtrans-62.5-44.4174.1-71.8174.4166.500111.2K8 E12 I13 T19 Q20K8-E16 WeakPolarHBondContact CE-OE1 3.47Å; K8-E16 IonicContact NZ-OE1 3.71Å; K8-E16 PolarHBondContact NZ-OE1 3.13Å; K8-E16 IonicContact NZ-OE2 2.64Å; K8-E16 PolarHBondContact NZ-OE2 3.41Å; E12-E16 WeakPolarHBondContact O-CG 3.26Å; E12-E16 PolarHBondContact O-N 2.96Å; I13-E16 PolarHBondContact O-N 2.92Å; E16-T19 WeakPolarHBondContact O-CB 3.29Å; E16-T19 PolarHBondContact O-N 3.09Å; E16-Q20 PolarHBondContact O-N 3.29Å
17Y93.2Very high90.4Very high29 Ų2983.1 Ų83.111%0.11440%0.401CS..Hα-helixtrans-64.6-45.8176.7-177.2-108000112.8I13 T19 Q20 V21 L157 L160 Y161 M164I13-Y17 WeakPolarHBondContact O-CB 3.49Å; I13-Y17 PolarHBondContact O-N 3.31Å; Y17-T19 PolarHBondContact O-N 2.88Å; Y17-Q20 PolarHBondContact O-N 3.43Å; Y17-Q20 VanDerWaalsContact O-N 3.12Å; Y17-V21 HydrophobicContact CD1-CG2 4.03Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 4.07Å; Y17-V21 HydrophobicContact CG-CG2 4.48Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 2.86Å; Y17-L157 WeakPolarHBondContact OH-CA 3.24Å; Y17-L157 PolarHBondContact OH-O 3.11Å; Y17-L160 HydrophobicContact CE2-CD2 3.8Å; Y17-Y161 HydrophobicContact CD1-CD2 4.39Å; Y17-M164 HydrophobicContact CD1-CE 3.33Å; Y17-M164 HydrophobicContact CD2-CE 4.05Å; Y17-M164 HydrophobicContact CE1-CE 3.8Å; Y17-M164 HydrophobicContact CE2-CE 4.47Å; Y17-M164 HydrophobicContact CG-CE 3.46Å; Y17-M164 VanDerWaalsContact CG-CE 3.46Å
18D92.8Very high91.4Very high59 Ų5975.1 Ų75.132%0.31637%0.366SS..Hα-helixtrans-60.5-33.8177.6-178.171000112I14 V21 K22I14-D18 VanDerWaalsContact O-CB 3.24Å; I14-D18 WeakPolarHBondContact O-CB 3.1Å; I14-D18 PolarHBondContact O-N 3.02Å; D18-V21 PolarHBondContact O-N 3.13Å; D18-K22 WeakPolarHBondContact O-CB 3.34Å; D18-K22 WeakPolarHBondContact O-CG 3.39Å; D18-K22 PolarHBondContact O-N 3.15Å; D18-K22 WeakPolarHBondContact OD2-CE 3.36Å; D18-K22 IonicContact OD2-NZ 3.15Å; D18-K22 PolarHBondContact OD2-NZ 3.16Å
19T95.1Very high92Very high73 Ų7374.8 Ų74.845%0.44837%0.37SS..Hα-helixtrans-61.9-49.5173.4-56.10000110.9A15 E16 Y17 V21 K22 E23A15-T19 PolarHBondContact O-N 3.39Å; A15-T19 PolarHBondContact O-OG1 2.82Å; E16-T19 WeakPolarHBondContact O-CB 3.29Å; E16-T19 PolarHBondContact O-N 3.09Å; Y17-T19 PolarHBondContact O-N 2.88Å; T19-V21 PolarHBondContact O-N 3.39Å; T19-K22 WeakPolarHBondContact O-CB 3.36Å; T19-K22 PolarHBondContact O-N 2.94Å; T19-E23 WeakPolarHBondContact O-CG 3.27Å; T19-E23 PolarHBondContact O-N 3.37Å
20Q93.8Very high92.8Very high112 Ų11272.6 Ų72.652%0.52336%0.362SS..Hα-helixtrans-63.9-39178.5-167.417910.200112.4E16 Y17 K22 E23 I24E16-Q20 PolarHBondContact O-N 3.29Å; Y17-Q20 PolarHBondContact O-N 3.43Å; Y17-Q20 VanDerWaalsContact O-N 3.12Å; Q20-K22 VanDerWaalsContact C-N 3.33Å; Q20-K22 PolarHBondContact O-N 3.39Å; Q20-E23 PolarHBondContact O-N 2.84Å; Q20-I24 HydrophobicContact CG-CD1 4.41Å; Q20-I24 WeakPolarHBondContact O-CG1 3.26Å; Q20-I24 PolarHBondContact O-N 2.87Å
21V95.8Very high93.5Very high8 Ų871.1 Ų71.15%0.04835%0.353CS..Hα-helixtrans-64.6-37.4175.9173.10000111.6Y17 D18 T19 I24 R25 M154 L157Y17-V21 HydrophobicContact CD1-CG2 4.03Å; Y17-V21 HydrophobicContact CE1-CG2 3.56Å; Y17-V21 HydrophobicContact CE2-CG2 4.07Å; Y17-V21 HydrophobicContact CG-CG2 4.48Å; Y17-V21 WeakPolarHBondContact O-CG2 3.34Å; Y17-V21 PolarHBondContact O-N 2.86Å; D18-V21 PolarHBondContact O-N 3.13Å; T19-V21 PolarHBondContact O-N 3.39Å; V21-I24 PolarHBondContact O-N 3.41Å; V21-R25 WeakPolarHBondContact O-CB 3.34Å; V21-R25 PolarHBondContact O-N 3.22Å; V21-M154 HydrophobicContact CG1-CE 3.86Å; V21-L157 HydrophobicContact CG1-CB 4.48Å; V21-L157 HydrophobicContact CG1-CD1 4.49Å; V21-L157 HydrophobicContact CG2-CB 4.25Å
22K95.1Very high94Very high123 Ų12363.4 Ų63.454%0.53532%0.32SS..Hα-helixtrans-66.1-40.4174.1-78.3169.4176.1159.70112.3D18 T19 Q20 R25 A26D18-K22 WeakPolarHBondContact O-CB 3.34Å; D18-K22 WeakPolarHBondContact O-CG 3.39Å; D18-K22 PolarHBondContact O-N 3.15Å; D18-K22 WeakPolarHBondContact OD2-CE 3.36Å; D18-K22 IonicContact OD2-NZ 3.15Å; D18-K22 PolarHBondContact OD2-NZ 3.16Å; T19-K22 WeakPolarHBondContact O-CB 3.36Å; T19-K22 PolarHBondContact O-N 2.94Å; Q20-K22 VanDerWaalsContact C-N 3.33Å; Q20-K22 PolarHBondContact O-N 3.39Å; K22-R25 PolarHBondContact O-N 2.9Å; K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 3.24Å
23E96.3Very high94.4Very high123 Ų12365.1 Ų65.158%0.57533%0.327SS*.Hα-helixtrans-61.4-46.7174.5-71.8170.6-175.800111.3T19 Q20 R25 A26 Q27T19-E23 WeakPolarHBondContact O-CG 3.27Å; T19-E23 PolarHBondContact O-N 3.37Å; Q20-E23 PolarHBondContact O-N 2.84Å; E23-R25 PolarHBondContact O-N 2.75Å; E23-A26 PolarHBondContact O-N 2.94Å; E23-Q27 PolarHBondContact O-N 2.78Å
24I96.9Very high94.8Very high20 Ų2066.2 Ų66.210%0.10334%0.337CS..Hα-helixtrans-58.1-51.9175.1-67.8166.8000109.8Q20 V21 A26 Q27 L28 L157Q20-I24 HydrophobicContact CG-CD1 4.41Å; Q20-I24 WeakPolarHBondContact O-CG1 3.26Å; Q20-I24 PolarHBondContact O-N 2.87Å; V21-I24 PolarHBondContact O-N 3.41Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.77Å; I24-Q27 WeakPolarHBondContact O-CA 3.17Å; I24-Q27 WeakPolarHBondContact O-CB 3.38Å; I24-Q27 PolarHBondContact O-N 2.8Å; I24-L28 HydrophobicContact CG2-CD1 4.22Å; I24-L28 HydrophobicContact CG2-CG 4.17Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3.11Å; I24-L157 HydrophobicContact CB-CD1 4.47Å; I24-L157 HydrophobicContact CD1-CD1 4.11Å; I24-L157 HydrophobicContact CD1-CD2 4.34Å; I24-L157 HydrophobicContact CG2-CD1 3.97Å
25R96.4Very high94.8Very high133 Ų13366.8 Ų66.850%0.50234%0.34SS..Hα-helixtrans-56.6-41.1179.1-175.7-176-66-170.50.9112.8V21 K22 E23 L28 T29 M154V21-R25 WeakPolarHBondContact O-CB 3.34Å; V21-R25 PolarHBondContact O-N 3.22Å; K22-R25 PolarHBondContact O-N 2.9Å; E23-R25 PolarHBondContact O-N 2.75Å; R25-L28 PolarHBondContact O-N 3.21Å; R25-T29 PolarHBondContact O-N 3.36Å; R25-T29 VanDerWaalsContact O-N 3.16Å; R25-T29 PolarHBondContact O-OG1 2.91Å; R25-M154 HydrophobicContact CB-CE 4.47Å; R25-M154 HydrophobicContact CB-SD 4.2Å
26A96.8Very high94.9Very high55 Ų5566 Ų6646%0.45533%0.329SS..Hα-helixtrans-62-46.2175.800000110.6K22 E23 I24 L28 T29 E30K22-A26 WeakPolarHBondContact O-CB 3.49Å; K22-A26 PolarHBondContact O-N 3.24Å; E23-A26 PolarHBondContact O-N 2.94Å; I24-A26 VanDerWaalsContact C-N 3.28Å; I24-A26 PolarHBondContact O-N 2.77Å; A26-L28 PolarHBondContact O-N 2.98Å; A26-T29 WeakPolarHBondContact O-CB 3.3Å; A26-T29 PolarHBondContact O-N 3.17Å; A26-E30 PolarHBondContact O-N 3.25Å; A26-E30 VanDerWaalsContact O-N 3.08Å
27Q97.4Very high95.1Very high98 Ų9867.1 Ų67.146%0.45833%0.334SS..Hα-helixtrans-62.4-40.7177.5-164.8-177.920.400112.8E23 I24 T29 E30 Q31 Y268E23-Q27 PolarHBondContact O-N 2.78Å; I24-Q27 WeakPolarHBondContact O-CA 3.17Å; I24-Q27 WeakPolarHBondContact O-CB 3.38Å; I24-Q27 PolarHBondContact O-N 2.8Å; Q27-T29 VanDerWaalsContact C-N 3.27Å; Q27-T29 PolarHBondContact O-N 2.84Å; Q27-E30 PolarHBondContact O-N 3.29Å; Q27-Q31 VanDerWaalsContact O-CG 3.3Å; Q27-Q31 WeakPolarHBondContact O-CG 3.48Å; Q27-Q31 PolarHBondContact O-N 3.35Å; Q27-Y268 VanDerWaalsContact OE1-CE1 3.26Å; Q27-Y268 VanDerWaalsContact OE1-CZ 3.31Å; Q27-Y268 PolarHBondContact OE1-OH 3.38Å
28L97Very high94.9Very high4 Ų469.7 Ų69.72%0.02135%0.347CS..Hα-helixtrans-59.5-39.8175.5-63.7-174.7000111.8I24 R25 A26 Q31 M32 Q150 L153 M154 Y267I24-L28 HydrophobicContact CG2-CD1 4.22Å; I24-L28 HydrophobicContact CG2-CG 4.17Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3.11Å; R25-L28 PolarHBondContact O-N 3.21Å; A26-L28 PolarHBondContact O-N 2.98Å; L28-Q31 PolarHBondContact O-N 2.85Å; L28-M32 PolarHBondContact O-N 3.17Å; L28-Q150 HydrophobicContact CB-CG 4.25Å; L28-Q150 HydrophobicContact CD1-CB 4.18Å; L28-Q150 HydrophobicContact CD1-CG 4.22Å; L28-Q150 HydrophobicContact CD2-CG 4.18Å; L28-Q150 HydrophobicContact CG-CG 4.43Å; L28-Q150 PolarHBondContact O-NE2 3.38Å; L28-L153 HydrophobicContact CD1-CD2 4.32Å; L28-L153 HydrophobicContact CD2-CD2 4.25Å; L28-M154 HydrophobicContact CD1-CG 4.05Å; L28-M154 HydrophobicContact CD1-SD 3.99Å; L28-Y267 HydrophobicContact CD2-CD1 4.29Å; L28-Y267 HydrophobicContact CD2-CE1 3.36Å; L28-Y267 WeakPolarHBondContact CD2-OH 3.41Å
29T96.3Very high94.7Very high67 Ų6767.7 Ų67.741%0.41134%0.338SS..Hα-helixtrans-65.4-43176.6-540000111.3R25 A26 Q27 M32 K33R25-T29 PolarHBondContact O-N 3.36Å; R25-T29 VanDerWaalsContact O-N 3.16Å; R25-T29 PolarHBondContact O-OG1 2.91Å; A26-T29 WeakPolarHBondContact O-CB 3.3Å; A26-T29 PolarHBondContact O-N 3.17Å; Q27-T29 VanDerWaalsContact C-N 3.27Å; Q27-T29 PolarHBondContact O-N 2.84Å; T29-M32 PolarHBondContact O-N 3.14Å; T29-K33 WeakPolarHBondContact O-CG 3.43Å; T29-K33 PolarHBondContact O-N 3.47Å; T29-K33 VanDerWaalsContact O-N 3.11Å
30E97.3Very high94.6Very high105 Ų10570.7 Ų70.749%0.49135%0.346SS..Hα-helixtrans-68-35.7177.4-65.5-53.2120.500112.6A26 Q27 M32 K33 C34A26-E30 PolarHBondContact O-N 3.25Å; A26-E30 VanDerWaalsContact O-N 3.08Å; Q27-E30 PolarHBondContact O-N 3.29Å; E30-M32 VanDerWaalsContact C-N 3.32Å; E30-M32 PolarHBondContact O-N 2.84Å; E30-K33 PolarHBondContact O-N 3.22Å; E30-K33 IonicContact OE1-NZ 3.92Å; E30-K33 PolarHBondContact OE1-NZ 3.39Å; E30-C34 WeakPolarHBondContact O-CB 3.41Å; E30-C34 PolarHBondContact O-N 2.93Å
31Q95.8Very high94.6Very high30 Ų3069.9 Ų69.914%0.1435%0.345CS..Hα-helixtrans-58.2-44.8172.6-73.7166.9-2.300111.2Q27 L28 C34 L35 Y267 Y268Q27-Q31 VanDerWaalsContact O-CG 3.3Å; Q27-Q31 WeakPolarHBondContact O-CG 3.48Å; Q27-Q31 PolarHBondContact O-N 3.35Å; L28-Q31 PolarHBondContact O-N 2.85Å; Q31-C34 WeakPolarHBondContact O-CB 3.49Å; Q31-C34 PolarHBondContact O-N 3.4Å; Q31-L35 WeakPolarHBondContact O-CG 3.49Å; Q31-L35 PolarHBondContact O-N 2.95Å; Q31-L35 VanDerWaalsContact O-N 3.1Å; Q31-Y267 PolarHBondContact OE1-OH 2.91Å; Q31-Y268 VanDerWaalsContact NE2-CE1 3.3Å
32M93.1Very high94.4Very high16 Ų1672 Ų728%0.07935%0.352CS..Hα-helixtrans-66.8-41.9179.3-167.358.469.100112.3L28 T29 E30 C34 L35 D36 K143L28-M32 PolarHBondContact O-N 3.17Å; T29-M32 PolarHBondContact O-N 3.14Å; E30-M32 VanDerWaalsContact C-N 3.32Å; E30-M32 PolarHBondContact O-N 2.84Å; M32-C34 VanDerWaalsContact C-N 3.3Å; M32-C34 PolarHBondContact O-N 2.94Å; M32-L35 PolarHBondContact O-N 3.27Å; M32-D36 PolarHBondContact O-N 3.43Å; M32-K143 HydrophobicContact SD-CD 4.4Å; M32-K143 HydrophobicContact SD-CG 3.82Å
33K95.2Very high94.2Very high113 Ų11368.6 Ų68.649%0.49134%0.342SS..Hα-helixtrans-59.9-40.5174.1-72.1176.6-176.1168.30112.3T29 E30 D36 Q37T29-K33 WeakPolarHBondContact O-CG 3.43Å; T29-K33 PolarHBondContact O-N 3.47Å; T29-K33 VanDerWaalsContact O-N 3.11Å; E30-K33 PolarHBondContact O-N 3.22Å; E30-K33 IonicContact OE1-NZ 3.92Å; E30-K33 PolarHBondContact OE1-NZ 3.39Å; K33-D36 PolarHBondContact O-N 3.48Å; K33-Q37 WeakPolarHBondContact O-CB 3.32Å; K33-Q37 PolarHBondContact O-N 3.31Å
34C94.8Very high94.2Very high65 Ų6567.6 Ų67.644%0.43934%0.337SS..Hα-helixtrans-61.2-46.9176.8-176.20000111E30 Q31 M32 D36 Q37 Q38E30-C34 WeakPolarHBondContact O-CB 3.41Å; E30-C34 PolarHBondContact O-N 2.93Å; Q31-C34 WeakPolarHBondContact O-CB 3.49Å; Q31-C34 PolarHBondContact O-N 3.4Å; M32-C34 VanDerWaalsContact C-N 3.3Å; M32-C34 PolarHBondContact O-N 2.94Å; C34-D36 PolarHBondContact O-N 2.71Å; C34-Q37 PolarHBondContact O-N 3.15Å; C34-Q38 WeakPolarHBondContact O-CG 3.49Å; C34-Q38 PolarHBondContact O-N 3.5Å
35L91.3Very high94.2Very high28 Ų2870.5 Ų70.515%0.14735%0.352CS..Hα-helixtrans-63.2-41.5177.5-67.5174.8000112.3Q31 M32 Q38 C39 F139 L275 I276Q31-L35 WeakPolarHBondContact O-CG 3.49Å; Q31-L35 PolarHBondContact O-N 2.95Å; Q31-L35 VanDerWaalsContact O-N 3.1Å; M32-L35 PolarHBondContact O-N 3.27Å; L35-Q38 PolarHBondContact O-N 3.06Å; L35-C39 PolarHBondContact O-N 3.2Å; L35-F139 HydrophobicContact CB-CE2 4.28Å; L35-F139 VanDerWaalsContact O-CE2 3.31Å; L35-F139 WeakPolarHBondContact O-CE2 3.24Å; L35-L275 HydrophobicContact CD1-CD2 4.12Å; L35-I276 HydrophobicContact CD2-CG1 4.1Å
36D91.7Very high94.2Very high37 Ų3764.2 Ų64.220%0.19833%0.329CS..Hα-helixtrans-57.2-50.3173.5-77.5-29.6000111.2M32 K33 C34 Q38 C39 E40 F139 K143M32-D36 PolarHBondContact O-N 3.43Å; K33-D36 PolarHBondContact O-N 3.48Å; C34-D36 PolarHBondContact O-N 2.71Å; D36-Q38 PolarHBondContact O-N 2.92Å; D36-C39 WeakPolarHBondContact O-CB 3.48Å; D36-C39 PolarHBondContact O-N 3.03Å; D36-E40 WeakPolarHBondContact O-CG 3.35Å; D36-E40 PolarHBondContact O-N 2.98Å; D36-F139 HydrophobicContact CB-CZ 4.4Å; D36-F139 VanDerWaalsContact OD1-CE1 3.29Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.37Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.25Å; D36-K143 WeakPolarHBondContact OD1-CE 3.14Å; D36-K143 IonicContact OD1-NZ 3.49Å; D36-K143 PolarHBondContact OD1-NZ 3.42Å; D36-K143 IonicContact OD2-NZ 2.93Å; D36-K143 PolarHBondContact OD2-NZ 3.03Å
37Q94.1Very high94.3Very high111 Ų11164.9 Ų64.952%0.51932%0.323SS..Hα-helixtrans-61.5-40.9178.8-172.8-179.514.800112.4K33 C34 C39 E40 L41K33-Q37 WeakPolarHBondContact O-CB 3.32Å; K33-Q37 PolarHBondContact O-N 3.31Å; C34-Q37 PolarHBondContact O-N 3.15Å; Q37-C39 VanDerWaalsContact C-N 3.31Å; Q37-C39 PolarHBondContact O-N 3.06Å; Q37-E40 PolarHBondContact O-N 3.41Å; Q37-L41 HydrophobicContact CG-CD1 4.4Å; Q37-L41 WeakPolarHBondContact O-CG 3.39Å; Q37-L41 PolarHBondContact O-N 3.4Å
38Q90.1Very high94.3Very high83 Ų8364.2 Ų64.239%0.38832%0.322SS..Hα-helixtrans-64.5-36.2177.3-70.4-57.7-44.800112.2C34 L35 D36 R42C34-Q38 WeakPolarHBondContact O-CG 3.49Å; C34-Q38 PolarHBondContact O-N 3.5Å; L35-Q38 PolarHBondContact O-N 3.06Å; D36-Q38 PolarHBondContact O-N 2.92Å; Q38-R42 VanDerWaalsContact O-CG 3.3Å; Q38-R42 WeakPolarHBondContact O-CG 3.29Å; Q38-R42 PolarHBondContact O-N 3.22Å
39C88.6Confident94.4Very high18 Ų1865.5 Ų65.512%0.12233%0.329CS..Hα-helixtrans-64.4-47.3173.4-1760000111.7L35 D36 Q37 L41 R42 V43 F139L35-C39 PolarHBondContact O-N 3.2Å; D36-C39 WeakPolarHBondContact O-CB 3.48Å; D36-C39 PolarHBondContact O-N 3.03Å; Q37-C39 VanDerWaalsContact C-N 3.31Å; Q37-C39 PolarHBondContact O-N 3.06Å; C39-L41 VanDerWaalsContact C-N 3.33Å; C39-L41 PolarHBondContact O-N 2.97Å; C39-R42 PolarHBondContact O-N 3.15Å; C39-R42 VanDerWaalsContact O-N 3.13Å; C39-V43 WeakPolarHBondContact O-CG2 3.3Å; C39-V43 PolarHBondContact O-N 2.99Å; C39-F139 HydrophobicContact CB-CB 4.44Å; C39-F139 HydrophobicContact CB-CD1 3.79Å; C39-F139 HydrophobicContact CB-CD2 3.49Å; C39-F139 VanDerWaalsContact CB-CD2 3.49Å; C39-F139 HydrophobicContact CB-CE1 3.85Å; C39-F139 HydrophobicContact CB-CE2 3.57Å; C39-F139 HydrophobicContact CB-CG 3.61Å; C39-F139 HydrophobicContact CB-CZ 3.76Å; C39-F139 VanDerWaalsContact SG-CB 3.55Å; C39-F139 WeakPolarHBondContact SG-CD1 3.45Å; C39-F139 WeakPolarHBondContact SG-CG 3.47Å
40E91.9Very high94.5Very high135 Ų13562.9 Ų62.963%0.63131%0.312SS*.Hα-helixtrans-57.4-45178.2-71174.1178.200111.8D36 Q37 R42 V43 Q44D36-E40 WeakPolarHBondContact O-CG 3.35Å; D36-E40 PolarHBondContact O-N 2.98Å; Q37-E40 PolarHBondContact O-N 3.41Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 2.77Å; E40-V43 PolarHBondContact O-N 2.99Å; E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 PolarHBondContact O-N 3.48Å
41L94.3Very high94.5Very high95 Ų9561 Ų6150%0.49731%0.305SS..Hα-helixtrans-61.1-38.6177.1-71.4173.4000112.6Q37 C39 L45Q37-L41 HydrophobicContact CG-CD1 4.4Å; Q37-L41 WeakPolarHBondContact O-CG 3.39Å; Q37-L41 PolarHBondContact O-N 3.4Å; C39-L41 VanDerWaalsContact C-N 3.33Å; C39-L41 PolarHBondContact O-N 2.97Å; L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 2.99Å
42R92Very high94.7Very high53 Ų5365 Ų6520%0.232%0.322CS..Hα-helixtrans-70.7-42.8178-71.4169.6-178.8177.1-4.4112.1Q38 C39 E40 Q44 L45 L46 D280 Y283Q38-R42 VanDerWaalsContact O-CG 3.3Å; Q38-R42 WeakPolarHBondContact O-CG 3.29Å; Q38-R42 PolarHBondContact O-N 3.22Å; C39-R42 PolarHBondContact O-N 3.15Å; C39-R42 VanDerWaalsContact O-N 3.13Å; E40-R42 VanDerWaalsContact C-N 3.31Å; E40-R42 PolarHBondContact O-N 2.77Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; R42-Q44 PolarHBondContact O-N 3.07Å; R42-L45 PolarHBondContact O-N 3.45Å; R42-L46 WeakPolarHBondContact O-CG 3.32Å; R42-L46 PolarHBondContact O-N 2.86Å; R42-D280 IonicContact CZ-OD1 3.89Å; R42-D280 IonicContact CZ-OD2 3.79Å; R42-D280 IonicContact NH1-OD1 3.44Å; R42-D280 PolarHBondContact NH1-OD1 2.85Å; R42-D280 IonicContact NH2-OD1 2.69Å; R42-D280 PolarHBondContact NH2-OD1 2.94Å; R42-D280 IonicContact NH2-OD2 2.67Å; R42-D280 PolarHBondContact NH2-OD2 3.3Å; R42-Y283 HydrophobicContact CB-CE2 4.3Å; R42-Y283 HydrophobicContact CG-CE1 4.3Å
43V91.1Very high95Very high51 Ų5164.5 Ų64.531%0.30932%0.319SS..Hα-helixtrans-62.4-41.7175.3172.70000110.2C39 E40 L46 Q47C39-V43 WeakPolarHBondContact O-CG2 3.3Å; C39-V43 PolarHBondContact O-N 2.99Å; E40-V43 PolarHBondContact O-N 2.99Å; V43-L46 PolarHBondContact O-N 3.45Å; V43-Q47 PolarHBondContact O-N 3.01Å
44Q96.1Very high95.1Very high103 Ų10363.8 Ų63.848%0.48131%0.314SS..Hα-helixtrans-62.2-46.3175.5-174.360.853.600111.9E40 R42 L46 Q47 D48E40-Q44 WeakPolarHBondContact O-CB 3.49Å; E40-Q44 PolarHBondContact O-N 3.48Å; R42-Q44 VanDerWaalsContact C-N 3.3Å; R42-Q44 PolarHBondContact O-N 3.07Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.46Å; Q44-Q47 WeakPolarHBondContact O-CA 3.35Å; Q44-Q47 WeakPolarHBondContact O-CB 3.16Å; Q44-Q47 PolarHBondContact O-N 3.33Å; Q44-D48 PolarHBondContact NE2-OD1 3.03Å; Q44-D48 VanDerWaalsContact O-CG 3.29Å; Q44-D48 PolarHBondContact O-N 3.47Å
45L97.3Very high95.3Very high81 Ų8165.9 Ų65.942%0.42432%0.316SS..Hα-helixtrans-59.2-42.3176.5175.962000112L41 R42 Q47 D48 L49L41-L45 WeakPolarHBondContact O-CB 3.37Å; L41-L45 PolarHBondContact O-N 2.99Å; R42-L45 PolarHBondContact O-N 3.45Å; L45-Q47 VanDerWaalsContact C-N 3.28Å; L45-Q47 PolarHBondContact O-N 2.88Å; L45-D48 PolarHBondContact O-N 3.3Å; L45-L49 HydrophobicContact CD1-CD1 4.42Å; L45-L49 HydrophobicContact CD1-CG 4.44Å; L45-L49 HydrophobicContact CG-CD1 4.2Å; L45-L49 WeakPolarHBondContact O-CB 3.39Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.31Å
46L97Very high95.7Very high0 Ų066.5 Ų66.50%032%0.317CS..Hα-helixtrans-64.8-34.3175.9-70.4170.8000111.9R42 V43 Q44 Q50 F128 V131 Y283R42-L46 WeakPolarHBondContact O-CG 3.32Å; R42-L46 PolarHBondContact O-N 2.86Å; V43-L46 PolarHBondContact O-N 3.45Å; Q44-L46 VanDerWaalsContact C-N 3.31Å; Q44-L46 PolarHBondContact O-N 3.46Å; L46-Q50 VanDerWaalsContact O-CG 3.25Å; L46-Q50 WeakPolarHBondContact O-CG 3.28Å; L46-Q50 PolarHBondContact O-N 3.26Å; L46-Q50 VanDerWaalsContact O-N 3.13Å; L46-Q50 PolarHBondContact O-NE2 2.91Å; L46-F128 HydrophobicContact CD2-CD1 3.87Å; L46-V131 HydrophobicContact CD1-CB 4.46Å; L46-V131 HydrophobicContact CD1-CG1 3.89Å; L46-V131 HydrophobicContact CD2-CB 4.42Å; L46-V131 HydrophobicContact CD2-CG1 4.03Å; L46-Y283 HydrophobicContact CD1-CE2 3.97Å; L46-Y283 HydrophobicContact CD2-CE2 4.2Å; L46-Y283 HydrophobicContact CG-CE2 4.14Å
47Q97.4Very high96Very high70 Ų7064.8 Ų64.833%0.32731%0.308SS..Hα-helixtrans-67-46.9174.2-17457.250.600111.1V43 Q44 L45 L49 Q50 D51V43-Q47 PolarHBondContact O-N 3.01Å; Q44-Q47 WeakPolarHBondContact O-CA 3.35Å; Q44-Q47 WeakPolarHBondContact O-CB 3.16Å; Q44-Q47 PolarHBondContact O-N 3.33Å; L45-Q47 VanDerWaalsContact C-N 3.28Å; L45-Q47 PolarHBondContact O-N 2.88Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.47Å; Q47-Q50 WeakPolarHBondContact O-CB 3.37Å; Q47-Q50 PolarHBondContact O-N 2.75Å; Q47-Q50 VanDerWaalsContact O-N 3.1Å; Q47-D51 PolarHBondContact NE2-OD1 2.85Å; Q47-D51 PolarHBondContact NE2-OD2 2.79Å; Q47-D51 PolarHBondContact O-N 3.44Å
48D98.6Very high96.2Very high83 Ų8364 Ų6444%0.44430%0.304SS..Hα-helixtrans-59.9-41.2177.4-64.6-13.4000111.3Q44 L45 D51 F52Q44-D48 PolarHBondContact NE2-OD1 3.03Å; Q44-D48 VanDerWaalsContact O-CG 3.29Å; Q44-D48 PolarHBondContact O-N 3.47Å; L45-D48 PolarHBondContact O-N 3.3Å; D48-D51 PolarHBondContact O-N 3.03Å; D48-F52 VanDerWaalsContact O-CB 3.23Å; D48-F52 WeakPolarHBondContact O-CB 3.43Å; D48-F52 PolarHBondContact O-N 3.03Å
49L98.5Very high96.6Very high31 Ų3164.6 Ų64.616%0.16231%0.309CS..Hα-helixtrans-61.7-42.6174.7-76.1167.4000112L45 Q47 F53 F128 L287L45-L49 HydrophobicContact CD1-CD1 4.42Å; L45-L49 HydrophobicContact CD1-CG 4.44Å; L45-L49 HydrophobicContact CG-CD1 4.2Å; L45-L49 WeakPolarHBondContact O-CB 3.39Å; L45-L49 VanDerWaalsContact O-CG 3.31Å; L45-L49 WeakPolarHBondContact O-CG 3.48Å; L45-L49 PolarHBondContact O-N 3.31Å; Q47-L49 VanDerWaalsContact C-N 3.3Å; Q47-L49 PolarHBondContact O-N 3.47Å; L49-F53 HydrophobicContact CD2-CE2 4.43Å; L49-F53 VanDerWaalsContact O-CD2 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.32Å; L49-F128 HydrophobicContact CB-CD2 4.14Å; L49-F128 HydrophobicContact CB-CE1 4.46Å; L49-F128 HydrophobicContact CB-CE2 4.05Å; L49-F128 HydrophobicContact CB-CG 4.37Å; L49-F128 HydrophobicContact CB-CZ 4.23Å; L49-F128 HydrophobicContact CD1-CD1 4.36Å; L49-F128 HydrophobicContact CD1-CE1 3.92Å; L49-F128 HydrophobicContact CD1-CZ 4.15Å; L49-F128 HydrophobicContact CD2-CZ 4.49Å; L49-L287 HydrophobicContact CD1-CD1 3.88Å
50Q98.3Very high97.1Very high12 Ų1264.7 Ų64.76%0.05631%0.308CS..Hα-helixtrans-62.5-46.3176.8-71.9164.967.700111.8L46 Q47 F53 R54 I125 F128 V129L46-Q50 VanDerWaalsContact O-CG 3.25Å; L46-Q50 WeakPolarHBondContact O-CG 3.28Å; L46-Q50 PolarHBondContact O-N 3.26Å; L46-Q50 VanDerWaalsContact O-N 3.13Å; L46-Q50 PolarHBondContact O-NE2 2.91Å; Q47-Q50 WeakPolarHBondContact O-CB 3.37Å; Q47-Q50 PolarHBondContact O-N 2.75Å; Q47-Q50 VanDerWaalsContact O-N 3.1Å; Q50-F53 PolarHBondContact O-N 3.16Å; Q50-R54 WeakPolarHBondContact O-CB 3.4Å; Q50-R54 PolarHBondContact O-N 2.85Å; Q50-I125 HydrophobicContact CG-CG2 4.49Å; Q50-F128 HydrophobicContact CG-CB 3.5Å; Q50-F128 HydrophobicContact CG-CG 4.44Å; Q50-V129 HydrophobicContact CG-CG2 4.45Å
51D98.6Very high97.4Very high65 Ų6560.6 Ų60.635%0.34829%0.289SS..Hα-helixtrans-69.4-37.1-178.1-66.2-28.2000111.3Q47 D48 R54 K55Q47-D51 PolarHBondContact NE2-OD1 2.85Å; Q47-D51 PolarHBondContact NE2-OD2 2.79Å; Q47-D51 PolarHBondContact O-N 3.44Å; D48-D51 PolarHBondContact O-N 3.03Å; D51-R54 PolarHBondContact O-N 3.46Å; D51-R54 IonicContact OD1-CZ 3.25Å; D51-R54 IonicContact OD1-NH1 2.99Å; D51-R54 PolarHBondContact OD1-NH1 3.24Å; D51-R54 IonicContact OD1-NH2 2.75Å; D51-K55 PolarHBondContact O-N 3.18Å
52F98.8Very high97.6Very high116 Ų11659.6 Ų59.651%0.50928%0.284SS..Hα-helixtrans-57.6-54.1171.1173.3-93.6000111.7D48 R54 K55 K56D48-F52 VanDerWaalsContact O-CB 3.23Å; D48-F52 WeakPolarHBondContact O-CB 3.43Å; D48-F52 PolarHBondContact O-N 3.03Å; F52-R54 VanDerWaalsContact C-N 3.3Å; F52-R54 PolarHBondContact O-N 3.16Å; F52-K55 PolarHBondContact O-N 3.12Å; F52-K55 VanDerWaalsContact O-N 3.16Å; F52-K56 HydrophobicContact CE1-CD 4.15Å; F52-K56 HydrophobicContact CZ-CD 4.24Å; F52-K56 PolarHBondContact O-N 3.32Å
53F98.7Very high97.9Very high4 Ų461.9 Ų61.92%0.01829%0.294CS..Hα-helixtrans-68.3-31-178.5-83-71.7000112.5L49 Q50 K55 K56 A57 Y120 I124 I125 F128 F294L49-F53 HydrophobicContact CD2-CE2 4.43Å; L49-F53 VanDerWaalsContact O-CD2 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.32Å; Q50-F53 PolarHBondContact O-N 3.16Å; F53-K55 VanDerWaalsContact C-N 3.34Å; F53-K56 PolarHBondContact O-N 2.9Å; F53-A57 VanDerWaalsContact O-CB 3.25Å; F53-A57 WeakPolarHBondContact O-CB 3.37Å; F53-A57 PolarHBondContact O-N 3.38Å; F53-Y120 AromaticContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD2 4.27Å; F53-Y120 HydrophobicContact CD1-CE1 4.2Å; F53-Y120 HydrophobicContact CD1-CE2 4.48Å; F53-Y120 AromaticContact CD1-CG 4Å; F53-Y120 HydrophobicContact CD1-CG 4Å; F53-Y120 HydrophobicContact CE1-CD1 4.28Å; F53-Y120 HydrophobicContact CE1-CE1 4.12Å; F53-I124 HydrophobicContact CD1-CG2 4.26Å; F53-I124 HydrophobicContact CD2-CG2 3.89Å; F53-I124 HydrophobicContact CE1-CD1 4.27Å; F53-I124 HydrophobicContact CE1-CG2 4.4Å; F53-I124 HydrophobicContact CE2-CG2 4.04Å; F53-I124 HydrophobicContact CG-CG2 4.01Å; F53-I124 HydrophobicContact CZ-CG2 4.3Å; F53-I125 HydrophobicContact CB-CD1 4.21Å; F53-I125 HydrophobicContact CB-CG1 3.8Å; F53-F128 HydrophobicContact CD2-CD2 4.33Å; F53-F128 AromaticContact CD2-CE2 3.58Å; F53-F128 HydrophobicContact CD2-CE2 3.58Å; F53-F128 HydrophobicContact CD2-CZ 4.48Å; F53-F128 AromaticContact CE2-CE2 3.68Å; F53-F128 HydrophobicContact CE2-CE2 3.68Å; F53-F128 HydrophobicContact CE2-CZ 4.17Å; F53-F294 HydrophobicContact CE1-CB 4.22Å; F53-F294 AromaticContact CE1-CD2 3.55Å; F53-F294 HydrophobicContact CE1-CD2 3.55Å; F53-F294 HydrophobicContact CE1-CE2 4.12Å; F53-F294 HydrophobicContact CE1-CG 4.02Å; F53-F294 HydrophobicContact CZ-CB 4.04Å; F53-F294 AromaticContact CZ-CD2 3.92Å; F53-F294 HydrophobicContact CZ-CD2 3.92Å; F53-F294 AromaticContact CZ-CG 3.94Å; F53-F294 HydrophobicContact CZ-CG 3.94Å
54R98.6Very high98.3Very high98 Ų9859.6 Ų59.637%0.3728%0.28SS..Hα-helixtrans-62.2-45.1171.6-166.7177.2-59.21229.2110.5Q50 D51 F52 A57 E58 I125Q50-R54 WeakPolarHBondContact O-CB 3.4Å; Q50-R54 PolarHBondContact O-N 2.85Å; D51-R54 PolarHBondContact O-N 3.46Å; D51-R54 IonicContact OD1-CZ 3.25Å; D51-R54 IonicContact OD1-NH1 2.99Å; D51-R54 PolarHBondContact OD1-NH1 3.24Å; D51-R54 IonicContact OD1-NH2 2.75Å; F52-R54 VanDerWaalsContact C-N 3.3Å; F52-R54 PolarHBondContact O-N 3.16Å; R54-A57 PolarHBondContact O-N 3.38Å; R54-E58 PolarHBondContact O-N 3.16Å; R54-I125 HydrophobicContact CB-CD1 3.93Å
55K98.8Very high98.4Very high110 Ų11060.5 Ų60.548%0.47828%0.279SS..Hα-helixtrans-68.9-40.5178.4-171.862.4-166.4165.90112.6D51 F52 F53 A57 E58 I59D51-K55 PolarHBondContact O-N 3.18Å; F52-K55 PolarHBondContact O-N 3.12Å; F52-K55 VanDerWaalsContact O-N 3.16Å; F53-K55 VanDerWaalsContact C-N 3.34Å; K55-A57 VanDerWaalsContact C-N 3.33Å; K55-A57 PolarHBondContact O-N 3.39Å; K55-E58 WeakPolarHBondContact CD-OE2 3.22Å; K55-E58 IonicContact NZ-OE2 2.97Å; K55-E58 PolarHBondContact NZ-OE2 3.34Å; K55-E58 PolarHBondContact O-N 3.06Å; K55-I59 HydrophobicContact CG-CD1 4.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.1Å
56K98.5Very high98.5Very high41 Ų4161.3 Ų61.318%0.17828%0.284CS..Hα-helixtrans-60.6-44.5175.2-160179.3-173-70.60110.4F52 F53 E58 I59 E60 Y120 E298F52-K56 HydrophobicContact CE1-CD 4.15Å; F52-K56 HydrophobicContact CZ-CD 4.24Å; F52-K56 PolarHBondContact O-N 3.32Å; F53-K56 PolarHBondContact O-N 2.9Å; K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 3.35Å; K56-I59 WeakPolarHBondContact O-CB 3.19Å; K56-I59 PolarHBondContact O-N 2.99Å; K56-I59 VanDerWaalsContact O-N 3.07Å; K56-E60 IonicContact NZ-OE1 3.87Å; K56-E60 PolarHBondContact NZ-OE1 3.24Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.41Å; K56-Y120 HydrophobicContact CB-CD2 4.3Å; K56-Y120 HydrophobicContact CB-CE2 4.1Å; K56-Y120 HydrophobicContact CD-CE2 3.65Å; K56-Y120 HydrophobicContact CG-CD2 4.43Å; K56-Y120 HydrophobicContact CG-CE2 3.76Å; K56-Y120 PolarHBondContact NZ-OH 3.05Å; K56-E298 IonicContact NZ-OE1 2.97Å; K56-E298 PolarHBondContact NZ-OE1 3.29Å
57A98.6Very high98.5Very high1 Ų162 Ų621%0.00829%0.288CS..Hα-helixtrans-57.3-40.7176.800000113.4F53 R54 K55 M61 S117 Y120 L121F53-A57 VanDerWaalsContact O-CB 3.25Å; F53-A57 WeakPolarHBondContact O-CB 3.37Å; F53-A57 PolarHBondContact O-N 3.38Å; R54-A57 PolarHBondContact O-N 3.38Å; K55-A57 VanDerWaalsContact C-N 3.33Å; K55-A57 PolarHBondContact O-N 3.39Å; A57-M61 WeakPolarHBondContact O-CG 3.27Å; A57-M61 PolarHBondContact O-N 2.9Å; A57-M61 VanDerWaalsContact O-N 3.09Å; A57-S117 WeakPolarHBondContact CA-OG 3.33Å; A57-S117 WeakPolarHBondContact CB-OG 3.38Å; A57-S117 PolarHBondContact O-OG 3.11Å; A57-Y120 HydrophobicContact CB-CD2 4.1Å; A57-L121 HydrophobicContact CB-CD1 4.35Å; A57-L121 HydrophobicContact CB-CD2 3.98Å; A57-L121 HydrophobicContact CB-CG 3.83Å
58E98.6Very high98.5Very high95 Ų9560.8 Ų60.844%0.44428%0.282SS..Hα-helixtrans-61.8-45.3173.8-70175.4-176.600112R54 K55 K56 M61 D62R54-E58 PolarHBondContact O-N 3.16Å; K55-E58 WeakPolarHBondContact CD-OE2 3.22Å; K55-E58 IonicContact NZ-OE2 2.97Å; K55-E58 PolarHBondContact NZ-OE2 3.34Å; K55-E58 PolarHBondContact O-N 3.06Å; K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 3.35Å; E58-M61 PolarHBondContact O-N 3.1Å; E58-D62 PolarHBondContact O-N 3.01Å
59I98.8Very high98.5Very high94 Ų9463 Ų6348%0.48229%0.287SS..Hα-helixtrans-62.2-45.8179.2-66.5166.3000110.5K55 K56 M61 D62 Y63K55-I59 HydrophobicContact CG-CD1 4.31Å; K55-I59 WeakPolarHBondContact O-CG1 3.4Å; K55-I59 PolarHBondContact O-N 3.1Å; K56-I59 WeakPolarHBondContact O-CB 3.19Å; K56-I59 PolarHBondContact O-N 2.99Å; K56-I59 VanDerWaalsContact O-N 3.07Å; I59-M61 VanDerWaalsContact C-N 3.31Å; I59-M61 PolarHBondContact O-N 3.29Å; I59-D62 PolarHBondContact O-N 3.41Å; I59-Y63 PolarHBondContact O-N 2.93Å
60E98.5Very high98.5Very high20 Ų2065.2 Ų65.29%0.09330%0.299CS..Hα-helixtrans-59.9-41177.2-61.5-51.7158.100111.5K56 Y63 S64 H113 L116 Y120K56-E60 IonicContact NZ-OE1 3.87Å; K56-E60 PolarHBondContact NZ-OE1 3.24Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.41Å; E60-Y63 PolarHBondContact O-N 3.14Å; E60-S64 VanDerWaalsContact O-CB 3.31Å; E60-S64 WeakPolarHBondContact O-CB 3.4Å; E60-S64 PolarHBondContact O-N 2.89Å; E60-H113 IonicContact OE2-CE1 3.91Å; E60-H113 PolarHBondContact OE2-CE1 3.31Å; E60-H113 IonicContact OE2-CG 2.61Å; E60-H113 IonicContact OE2-ND1 3.08Å; E60-H113 PolarHBondContact OE2-ND1 3.15Å; E60-L116 HydrophobicContact CG-CD2 4.05Å; E60-L116 HydrophobicContact CG-CG 4.4Å; E60-Y120 HydrophobicContact CG-CD2 4.49Å; E60-Y120 HydrophobicContact CG-CE2 3.94Å
61M98.4Very high98.3Very high49 Ų4964.6 Ų64.624%0.24130%0.296CS..Hα-helixtrans-69-35.7176.9-73.5-51.2-62.600113.8A57 E58 I59 R65 T114 S117A57-M61 WeakPolarHBondContact O-CG 3.27Å; A57-M61 PolarHBondContact O-N 2.9Å; A57-M61 VanDerWaalsContact O-N 3.09Å; E58-M61 PolarHBondContact O-N 3.1Å; I59-M61 VanDerWaalsContact C-N 3.31Å; I59-M61 PolarHBondContact O-N 3.29Å; M61-R65 WeakPolarHBondContact O-CB 3.4Å; M61-R65 WeakPolarHBondContact O-CG 3.22Å; M61-R65 PolarHBondContact O-N 3.15Å; M61-R65 PolarHBondContact O-NE 3.18Å; M61-T114 HydrophobicContact CE-CG2 4.1Å; M61-T114 HydrophobicContact SD-CG2 4.12Å; M61-S117 WeakPolarHBondContact CG-OG 3.47Å; M61-S117 WeakPolarHBondContact SD-CB 2.88Å
62D98.6Very high98Very high75 Ų7566.8 Ų66.840%0.40130%0.304SS..Hα-helixtrans-66-43.8174.3-82.7-27.8000110.7E58 I59 R65 N66E58-D62 PolarHBondContact O-N 3.01Å; I59-D62 PolarHBondContact O-N 3.41Å; D62-R65 PolarHBondContact O-N 3Å; D62-R65 IonicContact OD1-CZ 3.28Å; D62-R65 IonicContact OD1-NH1 3.49Å; D62-R65 PolarHBondContact OD1-NH1 3.44Å; D62-R65 IonicContact OD1-NH2 3.09Å; D62-R65 PolarHBondContact OD1-NH2 3.1Å; D62-N66 VanDerWaalsContact O-CG 3.23Å; D62-N66 PolarHBondContact O-N 3.35Å; D62-N66 VanDerWaalsContact O-N 3.1Å; D62-N66 PolarHBondContact O-ND2 2.81Å; D62-N66 VanDerWaalsContact O-ND2 3.15Å
63Y98.7Very high97.8Very high101 Ų10169 Ų6940%0.39631%0.309SS..Hα-helixtrans-61.2-51.2176.1-176-115.7000111.3I59 E60 R65 N66 L67 H113I59-Y63 PolarHBondContact O-N 2.93Å; E60-Y63 PolarHBondContact O-N 3.14Å; Y63-R65 PolarHBondContact O-N 3.42Å; Y63-N66 WeakPolarHBondContact O-CB 3.45Å; Y63-N66 PolarHBondContact O-N 3.01Å; Y63-L67 HydrophobicContact CD1-CD1 3.98Å; Y63-L67 HydrophobicContact CD1-CG 4.46Å; Y63-L67 HydrophobicContact CE1-CD1 3.44Å; Y63-L67 VanDerWaalsContact CE1-CD1 3.44Å; Y63-L67 HydrophobicContact CE1-CG 4.11Å; Y63-L67 HydrophobicContact CE2-CD1 4.43Å; Y63-L67 HydrophobicContact CE2-CD2 4.18Å; Y63-L67 HydrophobicContact CE2-CG 4.28Å; Y63-L67 PolarHBondContact O-N 3.32Å; Y63-H113 HydrophobicContact CD1-CB 4.39Å; Y63-H113 AromaticContact CD1-CD2 3.66Å; Y63-H113 AromaticContact CD1-CE1 3.79Å; Y63-H113 AromaticContact CD1-CG 3.71Å; Y63-H113 AromaticContact CD1-ND1 3.77Å; Y63-H113 AromaticContact CD1-NE2 3.72Å; Y63-H113 AromaticContact CE1-CD2 3.59Å; Y63-H113 AromaticContact CE1-CE1 3.83Å; Y63-H113 AromaticContact CE1-NE2 3.39Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.24Å
64S98.6Very high97.4Very high3 Ų371.8 Ų71.82%0.02132%0.322CS..Hα-helixtrans-52.2-50.8175170.40000112.5E60 N66 L67 E68 S110 T114E60-S64 VanDerWaalsContact O-CB 3.31Å; E60-S64 WeakPolarHBondContact O-CB 3.4Å; E60-S64 PolarHBondContact O-N 2.89Å; S64-N66 VanDerWaalsContact C-N 3.25Å; S64-N66 PolarHBondContact O-N 2.93Å; S64-L67 PolarHBondContact O-N 3.48Å; S64-L67 VanDerWaalsContact O-N 3.15Å; S64-E68 PolarHBondContact O-N 2.88Å; S64-S110 VanDerWaalsContact CB-O 3.3Å; S64-S110 WeakPolarHBondContact CB-O 3.19Å; S64-S110 PolarHBondContact O-OG 2.78Å; S64-S110 PolarHBondContact OG-O 3.35Å; S64-T114 PolarHBondContact OG-OG1 3.27Å
65R98.6Very high96.8Very high122 Ų12269 Ų6946%0.4631%0.313SS..Hα-helixtrans-61.4-32.9178.9-82-177.2-79.3139.2-8.1113.2M61 D62 Y63 K69M61-R65 WeakPolarHBondContact O-CB 3.4Å; M61-R65 WeakPolarHBondContact O-CG 3.22Å; M61-R65 PolarHBondContact O-N 3.15Å; M61-R65 PolarHBondContact O-NE 3.18Å; D62-R65 PolarHBondContact O-N 3Å; D62-R65 IonicContact OD1-CZ 3.28Å; D62-R65 IonicContact OD1-NH1 3.49Å; D62-R65 PolarHBondContact OD1-NH1 3.44Å; D62-R65 IonicContact OD1-NH2 3.09Å; D62-R65 PolarHBondContact OD1-NH2 3.1Å; Y63-R65 PolarHBondContact O-N 3.42Å; R65-K69 WeakPolarHBondContact O-CD 3.26Å; R65-K69 VanDerWaalsContact O-CG 3.26Å; R65-K69 WeakPolarHBondContact O-CG 3.15Å; R65-K69 PolarHBondContact O-N 2.88Å
66N98.6Very high95.9Very high97 Ų9766.8 Ų66.852%0.51932%0.316SS..Hα-helixtrans-72.8-39.4177.1-69.9-27.5000111.5D62 Y63 S64 L70D62-N66 VanDerWaalsContact O-CG 3.23Å; D62-N66 PolarHBondContact O-N 3.35Å; D62-N66 VanDerWaalsContact O-N 3.1Å; D62-N66 PolarHBondContact O-ND2 2.81Å; D62-N66 VanDerWaalsContact O-ND2 3.15Å; Y63-N66 WeakPolarHBondContact O-CB 3.45Å; Y63-N66 PolarHBondContact O-N 3.01Å; S64-N66 VanDerWaalsContact C-N 3.25Å; S64-N66 PolarHBondContact O-N 2.93Å; N66-L70 WeakPolarHBondContact O-CB 3.48Å; N66-L70 PolarHBondContact O-N 2.9Å
67L98.5Very high94.9Very high16 Ų1670.6 Ų70.68%0.08433%0.332CS..Hα-helixtrans-64.4-44.1173.9-66.3-176.2000112.2Y63 S64 K69 L70 A71 V106 E109Y63-L67 HydrophobicContact CD1-CD1 3.98Å; Y63-L67 HydrophobicContact CD1-CG 4.46Å; Y63-L67 HydrophobicContact CE1-CD1 3.44Å; Y63-L67 VanDerWaalsContact CE1-CD1 3.44Å; Y63-L67 HydrophobicContact CE1-CG 4.11Å; Y63-L67 HydrophobicContact CE2-CD1 4.43Å; Y63-L67 HydrophobicContact CE2-CD2 4.18Å; Y63-L67 HydrophobicContact CE2-CG 4.28Å; Y63-L67 PolarHBondContact O-N 3.32Å; S64-L67 PolarHBondContact O-N 3.48Å; S64-L67 VanDerWaalsContact O-N 3.15Å; L67-K69 PolarHBondContact O-N 3.45Å; L67-L70 WeakPolarHBondContact O-CB 3.23Å; L67-L70 PolarHBondContact O-N 3.19Å; L67-L70 VanDerWaalsContact O-N 3.12Å; L67-A71 PolarHBondContact O-N 2.95Å; L67-V106 HydrophobicContact CB-CG1 3.97Å; L67-V106 HydrophobicContact CD2-CG1 4.18Å; L67-V106 WeakPolarHBondContact O-CG1 3.25Å; L67-E109 HydrophobicContact CD1-CB 3.74Å
68E97.7Very high93.3Very high44 Ų4474 Ų7421%0.20635%0.353CS..Hα-helixtrans-59.7-47.4178.2-166.362-150.700111.2S64 L70 A71 E72 S110S64-E68 PolarHBondContact O-N 2.88Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 3.1Å; E68-A71 PolarHBondContact O-N 2.96Å; E68-E72 HydrophobicContact CG-CG 4.32Å; E68-E72 WeakPolarHBondContact O-CB 3.43Å; E68-E72 WeakPolarHBondContact O-CG 3.43Å; E68-E72 PolarHBondContact O-N 3.34Å; E68-S110 WeakPolarHBondContact CB-OG 3.35Å; E68-S110 WeakPolarHBondContact OE2-CB 3.42Å; E68-S110 PolarHBondContact OE2-OG 3.34Å
69K97.7Very high91.4Very high128 Ų12879.4 Ų79.456%0.55737%0.369SS*.Hα-helixtrans-60-36.9176.9-72.3171.9-173.5172.50112.2R65 L67 R73R65-K69 WeakPolarHBondContact O-CD 3.26Å; R65-K69 VanDerWaalsContact O-CG 3.26Å; R65-K69 WeakPolarHBondContact O-CG 3.15Å; R65-K69 PolarHBondContact O-N 2.88Å; L67-K69 PolarHBondContact O-N 3.45Å; K69-R73 VanDerWaalsContact O-CB 3.29Å; K69-R73 WeakPolarHBondContact O-CB 3.19Å; K69-R73 PolarHBondContact O-N 3.11Å; K69-R73 VanDerWaalsContact O-N 3.11Å
70L97.4Very high89.1Confident78 Ų7879.6 Ų79.641%0.40838%0.379SS..Hα-helixtrans-62-51.4176.1175.963.3000110.3N66 L67 E68 R73 F74 V106N66-L70 WeakPolarHBondContact O-CB 3.48Å; N66-L70 PolarHBondContact O-N 2.9Å; L67-L70 WeakPolarHBondContact O-CB 3.23Å; L67-L70 PolarHBondContact O-N 3.19Å; L67-L70 VanDerWaalsContact O-N 3.12Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 3.1Å; L70-R73 PolarHBondContact O-N 3.35Å; L70-F74 HydrophobicContact CD1-CD2 4.15Å; L70-F74 HydrophobicContact CD1-CE2 3.75Å; L70-F74 VanDerWaalsContact O-CD2 3.32Å; L70-F74 WeakPolarHBondContact O-CD2 3.36Å; L70-V106 HydrophobicContact CB-CG1 4.43Å; L70-V106 HydrophobicContact CD2-CG1 4.14Å; L70-V106 HydrophobicContact CG-CG1 4.42Å
71A94.6Very high86.8Confident0 Ų083.1 Ų83.10%040%0.402CS..Hα-helixtrans-63.9-46.7179.900000112.5L67 E68 R73 F74 L75 V106 K107L67-A71 PolarHBondContact O-N 2.95Å; E68-A71 PolarHBondContact O-N 2.96Å; A71-R73 VanDerWaalsContact C-N 3.3Å; A71-R73 PolarHBondContact O-N 2.86Å; A71-F74 PolarHBondContact O-N 3.43Å; A71-L75 WeakPolarHBondContact O-CG 3.19Å; A71-L75 PolarHBondContact O-N 3.17Å; A71-V106 HydrophobicContact CB-CB 4.39Å; A71-V106 HydrophobicContact CB-CG1 4.04Å; A71-K107 HydrophobicContact CB-CD 4.16Å; A71-K107 HydrophobicContact CB-CG 3.41Å; A71-K107 VanDerWaalsContact CB-CG 3.41Å
72E93.1Very high84.1Confident111 Ų11190.7 Ų90.752%0.51943%0.434SS..Hα-helixtrans-58-41.6179.1-75.5-175.5158.900112.3E68 F74 L75 A76E68-E72 HydrophobicContact CG-CG 4.32Å; E68-E72 WeakPolarHBondContact O-CB 3.43Å; E68-E72 WeakPolarHBondContact O-CG 3.43Å; E68-E72 PolarHBondContact O-N 3.34Å; E72-F74 PolarHBondContact O-N 2.94Å; E72-L75 PolarHBondContact O-N 2.91Å; E72-A76 VanDerWaalsContact O-CB 3.27Å; E72-A76 WeakPolarHBondContact O-CB 3.46Å; E72-A76 PolarHBondContact O-N 3.35Å
73R94.3Very high81.5Confident163 Ų16392.7 Ų92.762%0.61544%0.444SS*.Hα-helixtrans-56.8-37.5179.4-176.9-179.8-173.2-169.20.5112.4K69 L70 A71 K77K69-R73 VanDerWaalsContact O-CB 3.29Å; K69-R73 WeakPolarHBondContact O-CB 3.19Å; K69-R73 PolarHBondContact O-N 3.11Å; K69-R73 VanDerWaalsContact O-N 3.11Å; L70-R73 PolarHBondContact O-N 3.35Å; A71-R73 VanDerWaalsContact C-N 3.3Å; A71-R73 PolarHBondContact O-N 2.86Å; R73-K77 WeakPolarHBondContact O-CG 3.18Å
74F90.4Very high78.8Confident62 Ų6295.4 Ų95.427%0.27246%0.461SS..Hα-helixtrans-89.6-36.4-178.3-73.7-72.8000112.6L70 A71 E72 A76 K77 T78 W99 L103L70-F74 HydrophobicContact CD1-CD2 4.15Å; L70-F74 HydrophobicContact CD1-CE2 3.75Å; L70-F74 VanDerWaalsContact O-CD2 3.32Å; L70-F74 WeakPolarHBondContact O-CD2 3.36Å; A71-F74 PolarHBondContact O-N 3.43Å; E72-F74 PolarHBondContact O-N 2.94Å; F74-A76 VanDerWaalsContact C-N 3.33Å; F74-A76 PolarHBondContact O-N 3.43Å; F74-K77 PolarHBondContact O-N 3.05Å; F74-T78 PolarHBondContact O-N 3.43Å; F74-T78 PolarHBondContact O-OG1 3.36Å; F74-W99 HydrophobicContact CB-CH2 4.45Å; F74-W99 HydrophobicContact CB-CZ2 3.83Å; F74-W99 AromaticContact CD1-CH2 3.97Å; F74-W99 HydrophobicContact CD1-CH2 3.97Å; 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 4.43Å; F74-W99 HydrophobicContact CG-CH2 4.05Å; F74-W99 AromaticContact CG-CZ2 3.82Å; F74-W99 HydrophobicContact CG-CZ2 3.82Å; F74-L103 HydrophobicContact CB-CD1 3.93Å; F74-L103 HydrophobicContact CB-CD2 3.75Å; F74-L103 HydrophobicContact CD2-CD2 4.42Å; F74-L103 HydrophobicContact CG-CD2 4.37Å
75L85.2Confident76.2Confident38 Ų38103.9 Ų103.920%0.19950%0.5CS..Hα-helixtrans-64.7-35.2174.9-71.8170.1000112.9A71 E72 R79 L103 K107A71-L75 WeakPolarHBondContact O-CG 3.19Å; A71-L75 PolarHBondContact O-N 3.17Å; E72-L75 PolarHBondContact O-N 2.91Å; L75-R79 PolarHBondContact O-N 3.02Å; L75-L103 HydrophobicContact CD2-CD1 3.99Å; L75-L103 HydrophobicContact CG-CD1 4.19Å; L75-K107 HydrophobicContact CD1-CD 3.66Å
76A80.5Confident73.7Confident64 Ų64103 Ų10353%0.52950%0.5SS..Hα-helixtrans-67.1-35.2177.500000112.6E72 F74 S80E72-A76 VanDerWaalsContact O-CB 3.27Å; E72-A76 WeakPolarHBondContact O-CB 3.46Å; E72-A76 PolarHBondContact O-N 3.35Å; F74-A76 VanDerWaalsContact C-N 3.33Å; F74-A76 PolarHBondContact O-N 3.43Å; A76-S80 PolarHBondContact O-N 3.47Å
77K77.1Confident70.9Confident121 Ų121106.7 Ų106.753%0.52651%0.511SS..Hα-helixtrans-67.3-41.5178.4-73176.8178.2-1760111.9R73 F74 R79 S80R73-K77 WeakPolarHBondContact O-CG 3.18Å; F74-K77 PolarHBondContact O-N 3.05Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 3.34Å; K77-S80 PolarHBondContact O-N 3.48Å
78T66.4Low68.3Low72 Ų72113.5 Ų113.544%0.44254%0.54SS..Hα-helixtrans-65.4-32.7179.7-44.80000112.5F74 T81F74-T78 PolarHBondContact O-N 3.43Å; F74-T78 PolarHBondContact O-OG1 3.36Å; T78-T81 PolarHBondContact O-OG1 3.3Å; T78-T81 VanDerWaalsContact O-OG1 3.04Å
79R57Low66.2Low209 Ų209119 Ų11979%0.78957%0.571SS**Hα-helixtrans-76.4-18.3177.5-68.4-179.5-173.9-173.72114.5L75 K77L75-R79 PolarHBondContact O-N 3.02Å; K77-R79 VanDerWaalsContact C-N 3.31Å; K77-R79 PolarHBondContact O-N 3.34Å
80S50.6Low64.1Low99 Ų99119.8 Ų119.869%0.69258%0.577SS**Hα-helixtrans-84.4-18.5-176.6-175.70000113.6A76 K77A76-S80 PolarHBondContact O-N 3.47Å; K77-S80 PolarHBondContact O-N 3.48Å
81T51Low62.4Low94 Ų94119.8 Ų119.858%0.57758%0.577SS**SBendtrans-72.5126.4172.69.60000109.5T78 D83T78-T81 PolarHBondContact O-OG1 3.3Å; T78-T81 VanDerWaalsContact O-OG1 3.04Å; T81-D83 PolarHBondContact O-N 3.36Å
82K41.7Very low61.7Low208 Ų208121.9 Ų121.990%0.90459%0.59SS**SBendtrans-65.635.6-168.7-82.1-176.6171.7179.80116.2
83D43.8Very low61.5Low116 Ų116119.2 Ų119.262%0.6258%0.579SS**  trans-109.352.5-179.8-80.6-33.3000112.4T81 Q85 F86T81-D83 PolarHBondContact O-N 3.36Å; D83-Q85 PolarHBondContact O-N 3.43Å; D83-F86 HydrophobicContact CB-CD2 4.17Å; D83-F86 PolarHBondContact O-N 3.39Å
84Q42.6Very low61.5Low159 Ų159112.3 Ų112.374%0.74356%0.556SS**THydrogen-bonded Turntrans-65.51.1170.3-84.2-173.52.600114
85Q43.1Very low61.7Low181 Ų181112.9 Ų112.985%0.84657%0.566SS**THydrogen-bonded Turntrans-80.1-17.4177.7-138.795.514.600113.5D83 K87D83-Q85 PolarHBondContact O-N 3.43Å; Q85-K87 PolarHBondContact O-N 3.45Å
86F46.4Very low62Low104 Ų104114.3 Ų114.346%0.45658%0.576SS.*  trans-100.336.8-172.5-70-80.6000114.3D83 K88 M331D83-F86 HydrophobicContact CB-CD2 4.17Å; D83-F86 PolarHBondContact O-N 3.39Å; F86-K88 VanDerWaalsContact C-N 3.25Å; F86-K88 PolarHBondContact O-N 3.14Å; F86-M331 HydrophobicContact CD1-SD 4.14Å; F86-M331 HydrophobicContact CE1-CG 3.85Å; F86-M331 HydrophobicContact CE1-SD 3.35Å; F86-M331 WeakPolarHBondContact CE1-SD 3.38Å; F86-M331 HydrophobicContact CZ-CG 4.16Å; F86-M331 HydrophobicContact CZ-SD 3.77Å
87K39.5Very low62.6Low173 Ų173114.4 Ų114.475%0.75257%0.567SS**  trans-8169.9173.3-74.7-173.6177.6179.20111.8Q85Q85-K87 PolarHBondContact O-N 3.45Å
88K44.8Very low63.4Low159 Ų159109.5 Ų109.569%0.69155%0.548SS*.  trans-148122.2147.9-82.2-169.4177.4-1800106.2F86 Q90 N91F86-K88 VanDerWaalsContact C-N 3.25Å; F86-K88 PolarHBondContact O-N 3.14Å; K88-Q90 PolarHBondContact O-N 3.16Å; K88-N91 PolarHBondContact O-N 3.27Å
89D52.4Low64.8Low159 Ų159110.6 Ų110.685%0.8554%0.544SS*.G310 helixtrans-52.5-10.6178.4-67.2-52.1000114.1N91D89-N91 VanDerWaalsContact C-N 3.34Å; D89-N91 PolarHBondContact O-N 3.28Å
90Q53.1Low66.4Low145 Ų145102.9 Ų102.968%0.67852%0.519SS*.G310 helixtrans-69.7-12.9-178.2-83.6177.6-19.600116.6K88 R327K88-Q90 PolarHBondContact O-N 3.16Å; Q90-R327 PolarHBondContact O-NH1 3.21Å
91N63Low68.5Low78 Ų78100.3 Ų100.342%0.41750%0.497SS..G310 helixtrans-121.521.6-172.9-93.5-30.7000115.5K88 D89 R327K88-N91 PolarHBondContact O-N 3.27Å; D89-N91 VanDerWaalsContact C-N 3.34Å; D89-N91 PolarHBondContact O-N 3.28Å; N91-R327 WeakPolarHBondContact OD1-CG 3.48Å
92V78.9Confident70.7Confident44 Ų4499.7 Ų99.727%0.26749%0.49SS..  trans-75.4134176.5-173.70000109.7V96 N97 R327V92-V96 HydrophobicContact CG1-CB 3.64Å; V92-V96 HydrophobicContact CG1-CG1 3.62Å; V92-N97 HydrophobicContact CG1-CB 4.3Å; V92-R327 PolarHBondContact O-NH1 3.2Å
93L90.4Very high73.3Confident56 Ų5690.1 Ų90.129%0.29345%0.448SS..  trans-69.7147.5173.3-61.7176.4000110.2P95 V96 N97 D324L93-P95 VanDerWaalsContact C-CD 3.45Å; L93-V96 HydrophobicContact CB-CG2 4.38Å; L93-V96 WeakPolarHBondContact O-CB 3.49Å; L93-V96 PolarHBondContact O-N 3.46Å; L93-N97 PolarHBondContact O-N 3.35Å; L93-D324 VanDerWaalsContact CA-OD1 3.3Å; L93-D324 WeakPolarHBondContact CA-OD1 3.33Å; L93-D324 HydrophobicContact CD2-CB 4.04Å
94S93.8Very high75.7Confident18 Ų1888.7 Ų88.713%0.12644%0.441CS..Hα-helixtrans-52.5-42.3-173.371.20000114.1V96 N97 C98 D320 D324S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.44Å; S94-N97 WeakPolarHBondContact O-CB 3.5Å; S94-N97 PolarHBondContact O-N 3.23Å; S94-N97 VanDerWaalsContact O-N 3.16Å; S94-C98 PolarHBondContact O-N 2.97Å; S94-C98 VanDerWaalsContact O-N 3.13Å; S94-C98 PolarHBondContact O-SG 3.49Å; S94-C98 VanDerWaalsContact O-SG 3.36Å; S94-D320 PolarHBondContact OG-N 2.65Å; S94-D324 WeakPolarHBondContact CB-OD2 3.49Å; S94-D324 PolarHBondContact N-OD1 3.16Å; S94-D324 PolarHBondContact N-OD2 3.09Å; S94-D324 PolarHBondContact OG-OD2 3.26Å
95P95.1Very high78.3Confident74 Ų7481.7 Ų81.748%0.48141%0.408SS..Hα-helixtrans-70.7-29.7179.5-17.533.8000113L93 N97 C98 W99 L319 D324L93-P95 VanDerWaalsContact C-CD 3.45Å; P95-N97 VanDerWaalsContact C-N 3.32Å; P95-C98 PolarHBondContact O-N 3.37Å; P95-W99 PolarHBondContact O-N 3.04Å; P95-W99 VanDerWaalsContact O-N 3.07Å; P95-L319 HydrophobicContact CB-CD2 4.28Å; P95-L319 HydrophobicContact CG-CD2 4.05Å; P95-D324 WeakPolarHBondContact CD-OD2 3.24Å
96V91.8Very high81Confident68 Ų6874.2 Ų74.241%0.41238%0.375SS..Hα-helixtrans-72-32.9176.3-178.50000110V92 L93 S94 W99 N100V92-V96 HydrophobicContact CG1-CB 3.64Å; V92-V96 HydrophobicContact CG1-CG1 3.62Å; L93-V96 HydrophobicContact CB-CG2 4.38Å; L93-V96 WeakPolarHBondContact O-CB 3.49Å; L93-V96 PolarHBondContact O-N 3.46Å; S94-V96 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 3.44Å; V96-W99 PolarHBondContact O-N 3.19Å; V96-N100 PolarHBondContact O-N 3.42Å; V96-N100 PolarHBondContact O-ND2 3.27Å
97N91.4Very high83.4Confident66 Ų6671.7 Ų71.735%0.35336%0.364SS..Hα-helixtrans-63.6-48.2172.3-172.247.4000111.4V92 L93 S94 P95 W99 N100 L101V92-N97 HydrophobicContact CG1-CB 4.3Å; L93-N97 PolarHBondContact O-N 3.35Å; S94-N97 WeakPolarHBondContact O-CB 3.5Å; S94-N97 PolarHBondContact O-N 3.23Å; S94-N97 VanDerWaalsContact O-N 3.16Å; P95-N97 VanDerWaalsContact C-N 3.32Å; N97-W99 VanDerWaalsContact C-N 3.28Å; N97-W99 PolarHBondContact O-N 3.33Å; N97-N100 PolarHBondContact O-N 3.16Å; N97-N100 VanDerWaalsContact O-N 3.11Å; N97-L101 PolarHBondContact O-N 3.47Å
98C95.2Very high86.2Confident18 Ų1868 Ų6812%0.12235%0.345CS..Hα-helixtrans-55.3-44.9174.4-57.70000111.6S94 P95 N100 L101 L102 A315S94-C98 PolarHBondContact O-N 2.97Å; S94-C98 VanDerWaalsContact O-N 3.13Å; S94-C98 PolarHBondContact O-SG 3.49Å; S94-C98 VanDerWaalsContact O-SG 3.36Å; P95-C98 PolarHBondContact O-N 3.37Å; C98-N100 PolarHBondContact O-N 3.03Å; C98-L101 PolarHBondContact O-N 2.82Å; C98-L102 WeakPolarHBondContact O-CB 3.36Å; C98-L102 PolarHBondContact O-N 3.46Å; C98-A315 VanDerWaalsContact SG-C 3.52Å; C98-A315 PolarHBondContact SG-O 3.21Å
99W94.8Very high88.7Confident94 Ų9461.7 Ų61.736%0.35632%0.318SS..Hα-helixtrans-60.5-43.7176.5175.3-111.7000113.1F74 P95 V96 N97 L102 L103F74-W99 HydrophobicContact CB-CH2 4.45Å; F74-W99 HydrophobicContact CB-CZ2 3.83Å; F74-W99 AromaticContact CD1-CH2 3.97Å; F74-W99 HydrophobicContact CD1-CH2 3.97Å; 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 4.43Å; F74-W99 HydrophobicContact CG-CH2 4.05Å; F74-W99 AromaticContact CG-CZ2 3.82Å; F74-W99 HydrophobicContact CG-CZ2 3.82Å; P95-W99 PolarHBondContact O-N 3.04Å; P95-W99 VanDerWaalsContact O-N 3.07Å; V96-W99 PolarHBondContact O-N 3.19Å; N97-W99 VanDerWaalsContact C-N 3.28Å; N97-W99 PolarHBondContact O-N 3.33Å; W99-L102 HydrophobicContact CE3-CD2 4.19Å; W99-L102 HydrophobicContact CZ3-CD2 4.2Å; W99-L102 PolarHBondContact O-N 2.92Å; W99-L103 HydrophobicContact CD2-CD1 4.41Å; W99-L103 HydrophobicContact CD2-CG 4.41Å; W99-L103 HydrophobicContact CH2-CD2 4.07Å; W99-L103 HydrophobicContact CZ2-CD1 3.88Å; W99-L103 HydrophobicContact CZ2-CD2 3.97Å; W99-L103 HydrophobicContact CZ2-CG 4.12Å; W99-L103 WeakPolarHBondContact O-CG 3.25Å; W99-L103 PolarHBondContact O-N 3Å; W99-L103 VanDerWaalsContact O-N 3.1Å
100N91.5Very high90.9Very high48 Ų4854.3 Ų54.326%0.25728%0.279SS..Hα-helixtrans-65.3-42.4178.8-71.5-25000111.8V96 N97 C98 L103 N104V96-N100 PolarHBondContact O-N 3.42Å; V96-N100 PolarHBondContact O-ND2 3.27Å; N97-N100 PolarHBondContact O-N 3.16Å; N97-N100 VanDerWaalsContact O-N 3.11Å; C98-N100 PolarHBondContact O-N 3.03Å; N100-L103 PolarHBondContact O-N 3.12Å; N100-N104 WeakPolarHBondContact O-CB 3.42Å; N100-N104 PolarHBondContact O-N 3.41Å; N100-N104 PolarHBondContact O-ND2 3.21Å
101L94.8Very high93.1Very high45 Ų4554.6 Ų54.624%0.23627%0.274CS..Hα-helixtrans-67.4-37.7177.8-72.2168.2000111.8N97 C98 L103 N104 Q105 I312 A315N97-L101 PolarHBondContact O-N 3.47Å; C98-L101 PolarHBondContact O-N 2.82Å; L101-L103 PolarHBondContact O-N 3.13Å; L101-N104 PolarHBondContact O-N 3.3Å; L101-Q105 PolarHBondContact O-N 3.05Å; L101-I312 HydrophobicContact CB-CG1 4.2Å; L101-A315 HydrophobicContact CD1-CB 3.46Å; L101-A315 VanDerWaalsContact CD1-CB 3.46Å
102L97.3Very high94.8Very high81 Ų8152.6 Ų52.642%0.42426%0.263SS..Hα-helixtrans-58.8-46172.2-173.567000111.9C98 W99 Q105 V106 I312C98-L102 WeakPolarHBondContact O-CB 3.36Å; C98-L102 PolarHBondContact O-N 3.46Å; W99-L102 HydrophobicContact CE3-CD2 4.19Å; W99-L102 HydrophobicContact CZ3-CD2 4.2Å; W99-L102 PolarHBondContact O-N 2.92Å; L102-Q105 PolarHBondContact O-N 3.4Å; L102-V106 PolarHBondContact O-N 3.39Å; L102-I312 HydrophobicContact CD1-CD1 4.01Å
103L95.3Very high95.7Very high6 Ų651.6 Ų51.63%0.03126%0.255CS..Hα-helixtrans-66.6-37176.2-67.8179.8000112.6F74 L75 W99 N100 L101 Q105 V106 K107F74-L103 HydrophobicContact CB-CD1 3.93Å; F74-L103 HydrophobicContact CB-CD2 3.75Å; F74-L103 HydrophobicContact CD2-CD2 4.42Å; F74-L103 HydrophobicContact CG-CD2 4.37Å; L75-L103 HydrophobicContact CD2-CD1 3.99Å; L75-L103 HydrophobicContact CG-CD1 4.19Å; W99-L103 HydrophobicContact CD2-CD1 4.41Å; W99-L103 HydrophobicContact CD2-CG 4.41Å; W99-L103 HydrophobicContact CH2-CD2 4.07Å; W99-L103 HydrophobicContact CZ2-CD1 3.88Å; W99-L103 HydrophobicContact CZ2-CD2 3.97Å; W99-L103 HydrophobicContact CZ2-CG 4.12Å; W99-L103 WeakPolarHBondContact O-CG 3.25Å; W99-L103 PolarHBondContact O-N 3Å; W99-L103 VanDerWaalsContact O-N 3.1Å; N100-L103 PolarHBondContact O-N 3.12Å; L101-L103 PolarHBondContact O-N 3.13Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 2.94Å; L103-V106 PolarHBondContact O-N 2.99Å; L103-K107 PolarHBondContact O-N 3.08Å
104N94.2Very high96.1Very high87 Ų8751 Ų5147%0.46525%0.254SS..Hα-helixtrans-64.5-36.1174.8-76.6-24.2000111.5N100 L101 K107 R108N100-N104 WeakPolarHBondContact O-CB 3.42Å; N100-N104 PolarHBondContact O-N 3.41Å; N100-N104 PolarHBondContact O-ND2 3.21Å; L101-N104 PolarHBondContact O-N 3.3Å; N104-K107 WeakPolarHBondContact O-CB 3.4Å; N104-K107 PolarHBondContact O-N 3.37Å; N104-R108 PolarHBondContact O-N 2.9Å
105Q97.9Very high96.3Very high11 Ų1153.6 Ų53.65%0.05127%0.269CS..Hα-helixtrans-66.2-42177.4179.757.30.100112.7L101 L102 L103 K107 R108 E109 K305 I312L101-Q105 PolarHBondContact O-N 3.05Å; L102-Q105 PolarHBondContact O-N 3.4Å; L103-Q105 VanDerWaalsContact C-N 3.29Å; L103-Q105 PolarHBondContact O-N 2.94Å; Q105-K107 PolarHBondContact O-N 2.9Å; Q105-R108 WeakPolarHBondContact O-CB 3.31Å; Q105-R108 PolarHBondContact O-N 3.27Å; Q105-R108 VanDerWaalsContact O-N 3.11Å; Q105-E109 PolarHBondContact O-N 2.91Å; Q105-K305 PolarHBondContact NE2-O 3.12Å; Q105-K305 VanDerWaalsContact NE2-O 3.1Å; Q105-I312 HydrophobicContact CB-CD1 3.65Å; Q105-I312 HydrophobicContact CG-CD1 3.92Å
106V98.4Very high96.5Very high25 Ų2550.2 Ų50.215%0.15225%0.247CC..Hα-helixtrans-58.3-39173.11760000111.3L67 L70 A71 L102 L103 S110L67-V106 HydrophobicContact CB-CG1 3.97Å; L67-V106 HydrophobicContact CD2-CG1 4.18Å; L67-V106 WeakPolarHBondContact O-CG1 3.25Å; L70-V106 HydrophobicContact CB-CG1 4.43Å; L70-V106 HydrophobicContact CD2-CG1 4.14Å; L70-V106 HydrophobicContact CG-CG1 4.42Å; A71-V106 HydrophobicContact CB-CB 4.39Å; A71-V106 HydrophobicContact CB-CG1 4.04Å; L102-V106 PolarHBondContact O-N 3.39Å; L103-V106 PolarHBondContact O-N 2.99Å; V106-S110 WeakPolarHBondContact O-CB 3.26Å; V106-S110 PolarHBondContact O-N 3.27Å
107K97.6Very high96.8Very high51 Ų5147 Ų4722%0.22223%0.227CC..Hα-helixtrans-70.1-35.8175.8-72.3-168.166.9179.10113.6A71 L75 L103 N104 Q105 S110 R111A71-K107 HydrophobicContact CB-CD 4.16Å; A71-K107 HydrophobicContact CB-CG 3.41Å; A71-K107 VanDerWaalsContact CB-CG 3.41Å; L75-K107 HydrophobicContact CD1-CD 3.66Å; L103-K107 PolarHBondContact O-N 3.08Å; N104-K107 WeakPolarHBondContact O-CB 3.4Å; N104-K107 PolarHBondContact O-N 3.37Å; Q105-K107 PolarHBondContact O-N 2.9Å; K107-S110 WeakPolarHBondContact O-CB 3.34Å; K107-R111 WeakPolarHBondContact O-CG 3.25Å; K107-R111 PolarHBondContact O-N 3Å
108R97.8Very high97.2Very high95 Ų9547.3 Ų47.336%0.35823%0.229SC..Hα-helixtrans-62.4-54.5174.7-180-174.4-77.4-115.711.7109.2N104 Q105 S110 R111 D112 S304 E307N104-R108 PolarHBondContact O-N 2.9Å; Q105-R108 WeakPolarHBondContact O-CB 3.31Å; Q105-R108 PolarHBondContact O-N 3.27Å; Q105-R108 VanDerWaalsContact O-N 3.11Å; R108-S110 VanDerWaalsContact C-N 3.31Å; R108-S110 PolarHBondContact O-N 2.84Å; R108-R111 PolarHBondContact O-N 3.43Å; R108-D112 VanDerWaalsContact O-CG 3.25Å; R108-D112 PolarHBondContact O-N 3.16Å; R108-S304 WeakPolarHBondContact CD-O 3.39Å; R108-S304 WeakPolarHBondContact CD-OG 3.31Å; R108-S304 PolarHBondContact NH1-OG 2.96Å; R108-E307 IonicContact CZ-OE2 3.74Å; R108-E307 IonicContact NH1-OE2 3.98Å; R108-E307 PolarHBondContact NH1-OE2 3.29Å
109E98.4Very high97.3Very high26 Ų2648.8 Ų48.812%0.12124%0.235CC..Hα-helixtrans-56-44.4176.6-73.5-171.6174.900112L67 Q105 R111 D112 H113 K305L67-E109 HydrophobicContact CD1-CB 3.74Å; Q105-E109 PolarHBondContact O-N 2.91Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 2.9Å; E109-D112 PolarHBondContact O-N 2.63Å; E109-H113 PolarHBondContact O-CD2 3.05Å; E109-H113 PolarHBondContact O-N 3.3Å; E109-K305 VanDerWaalsContact OE1-CE 3.28Å; E109-K305 WeakPolarHBondContact OE1-CE 3.4Å
110S98.6Very high97.5Very high4 Ų444.3 Ų44.33%0.02822%0.218CC..Hα-helixtrans-50.2-48.8174.11700000112.3S64 E68 V106 K107 R108 T114S64-S110 VanDerWaalsContact CB-O 3.3Å; S64-S110 WeakPolarHBondContact CB-O 3.19Å; S64-S110 PolarHBondContact O-OG 2.78Å; S64-S110 PolarHBondContact OG-O 3.35Å; E68-S110 WeakPolarHBondContact CB-OG 3.35Å; E68-S110 WeakPolarHBondContact OE2-CB 3.42Å; E68-S110 PolarHBondContact OE2-OG 3.34Å; V106-S110 WeakPolarHBondContact O-CB 3.26Å; V106-S110 PolarHBondContact O-N 3.27Å; K107-S110 WeakPolarHBondContact O-CB 3.34Å; R108-S110 VanDerWaalsContact C-N 3.31Å; R108-S110 PolarHBondContact O-N 2.84Å; S110-T114 PolarHBondContact O-N 3.01Å; S110-T114 VanDerWaalsContact O-N 3.15Å; S110-T114 PolarHBondContact O-OG1 3.46Å
111R98.5Very high97.9Very high152 Ų15245.5 Ų45.557%0.57422%0.224SC*.Hα-helixtrans-70.6-38.1-179.9-69.3170.9-179.4-176.8-3.6112.6K107 R108 E109 T114 T115K107-R111 WeakPolarHBondContact O-CG 3.25Å; K107-R111 PolarHBondContact O-N 3Å; R108-R111 PolarHBondContact O-N 3.43Å; E109-R111 VanDerWaalsContact C-N 3.3Å; E109-R111 PolarHBondContact O-N 2.9Å; R111-T114 WeakPolarHBondContact O-CB 3.28Å; R111-T114 PolarHBondContact O-N 3.45Å; R111-T115 PolarHBondContact O-N 2.95Å; R111-T115 PolarHBondContact O-OG1 2.98Å
112D98.5Very high98Very high35 Ų3549 Ų4919%0.18724%0.243CC..Hα-helixtrans-65.6-42.4-179.8-63.8-16.4000110.5R108 E109 T114 T115 L116 L301 S304R108-D112 VanDerWaalsContact O-CG 3.25Å; R108-D112 PolarHBondContact O-N 3.16Å; E109-D112 PolarHBondContact O-N 2.63Å; D112-T114 PolarHBondContact O-N 3.18Å; D112-T115 CarbonylContact O-C 3.56Å; D112-T115 WeakPolarHBondContact O-CB 3.45Å; D112-T115 PolarHBondContact O-N 2.75Å; D112-T115 VanDerWaalsContact O-N 3.17Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 PolarHBondContact O-N 3.16Å; D112-L301 HydrophobicContact CB-CD1 4.33Å; D112-L301 HydrophobicContact CB-CG 4.2Å; D112-S304 WeakPolarHBondContact OD2-CB 3.48Å; D112-S304 PolarHBondContact OD2-OG 2.9Å
113H98.7Very high98.1Very high24 Ų2447.8 Ų47.811%0.11124%0.237CC..Hα-helixtrans-67.8-32.8174.6-77.2-81.5000113.2E60 Y63 E109 L116 S117E60-H113 IonicContact OE2-CE1 3.91Å; E60-H113 PolarHBondContact OE2-CE1 3.31Å; E60-H113 IonicContact OE2-CG 2.61Å; E60-H113 IonicContact OE2-ND1 3.08Å; E60-H113 PolarHBondContact OE2-ND1 3.15Å; Y63-H113 HydrophobicContact CD1-CB 4.39Å; Y63-H113 AromaticContact CD1-CD2 3.66Å; Y63-H113 AromaticContact CD1-CE1 3.79Å; Y63-H113 AromaticContact CD1-CG 3.71Å; Y63-H113 AromaticContact CD1-ND1 3.77Å; Y63-H113 AromaticContact CD1-NE2 3.72Å; Y63-H113 AromaticContact CE1-CD2 3.59Å; Y63-H113 AromaticContact CE1-CE1 3.83Å; Y63-H113 AromaticContact CE1-NE2 3.39Å; Y63-H113 WeakPolarHBondContact CE1-NE2 3.24Å; E109-H113 PolarHBondContact O-CD2 3.05Å; E109-H113 PolarHBondContact O-N 3.3Å; H113-L116 PolarHBondContact O-N 2.97Å; H113-S117 PolarHBondContact O-N 3.33Å; H113-S117 VanDerWaalsContact O-N 3.09Å
114T98.8Very high98.2Very high42 Ų4247.5 Ų47.526%0.25824%0.235SC..Hα-helixtrans-61.7-47.9168.1-71.50000110.7M61 S64 S110 R111 D112 L116 S117 D118M61-T114 HydrophobicContact CE-CG2 4.1Å; M61-T114 HydrophobicContact SD-CG2 4.12Å; S64-T114 PolarHBondContact OG-OG1 3.27Å; S110-T114 PolarHBondContact O-N 3.01Å; S110-T114 VanDerWaalsContact O-N 3.15Å; S110-T114 PolarHBondContact O-OG1 3.46Å; R111-T114 WeakPolarHBondContact O-CB 3.28Å; R111-T114 PolarHBondContact O-N 3.45Å; D112-T114 PolarHBondContact O-N 3.18Å; T114-L116 VanDerWaalsContact C-N 3.3Å; T114-L116 PolarHBondContact O-N 3.29Å; T114-S117 WeakPolarHBondContact O-CB 3.38Å; T114-S117 PolarHBondContact O-N 3.14Å; T114-D118 PolarHBondContact O-N 3.46Å
115T98.6Very high98.4Very high73 Ų7344 Ų4445%0.44822%0.217SC..Hα-helixtrans-60.5-40.3178.9-55.20000111.5R111 D112 D118 I119R111-T115 PolarHBondContact O-N 2.95Å; R111-T115 PolarHBondContact O-OG1 2.98Å; D112-T115 CarbonylContact O-C 3.56Å; D112-T115 WeakPolarHBondContact O-CB 3.45Å; D112-T115 PolarHBondContact O-N 2.75Å; D112-T115 VanDerWaalsContact O-N 3.17Å; T115-D118 PolarHBondContact O-N 3.25Å; T115-I119 HydrophobicContact CG2-CD1 4.1Å; T115-I119 VanDerWaalsContact O-CG1 3.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.32Å; T115-I119 PolarHBondContact O-N 3.42Å
116L98.4Very high98.4Very high3 Ų346.2 Ų46.22%0.01623%0.232CC..Hα-helixtrans-62.1-44.6176.8-172.663.1000111.6E60 D112 H113 T114 I119 Y120 A297 L301E60-L116 HydrophobicContact CG-CD2 4.05Å; E60-L116 HydrophobicContact CG-CG 4.4Å; D112-L116 WeakPolarHBondContact O-CB 3.42Å; D112-L116 PolarHBondContact O-N 3.16Å; H113-L116 PolarHBondContact O-N 2.97Å; T114-L116 VanDerWaalsContact C-N 3.3Å; T114-L116 PolarHBondContact O-N 3.29Å; L116-I119 PolarHBondContact O-N 3.04Å; L116-Y120 HydrophobicContact CD1-CD1 4.45Å; L116-Y120 HydrophobicContact CD1-CE1 3.58Å; L116-Y120 HydrophobicContact CD1-CE2 4.44Å; L116-Y120 HydrophobicContact CD2-CE2 4.3Å; L116-Y120 WeakPolarHBondContact CD2-OH 3.42Å; L116-Y120 HydrophobicContact CG-CE1 3.95Å; L116-Y120 HydrophobicContact CG-CE2 3.91Å; L116-Y120 WeakPolarHBondContact O-CD1 3.44Å; L116-Y120 VanDerWaalsContact O-CG 3.29Å; L116-Y120 PolarHBondContact O-N 3.37Å; L116-A297 HydrophobicContact CD1-CB 3.54Å; L116-L301 HydrophobicContact CB-CD1 4.21Å; L116-L301 HydrophobicContact CD2-CD1 3.69Å; L116-L301 HydrophobicContact CG-CD1 4.46Å
117S98.7Very high98.4Very high0 Ų048.5 Ų48.50%024%0.238CC..Hα-helixtrans-61.4-44.1173.9-170.70000112.4A57 M61 H113 T114 I119 Y120 L121A57-S117 WeakPolarHBondContact CA-OG 3.33Å; A57-S117 WeakPolarHBondContact CB-OG 3.38Å; A57-S117 PolarHBondContact O-OG 3.11Å; M61-S117 WeakPolarHBondContact CG-OG 3.47Å; M61-S117 WeakPolarHBondContact SD-CB 2.88Å; H113-S117 PolarHBondContact O-N 3.33Å; H113-S117 VanDerWaalsContact O-N 3.09Å; T114-S117 WeakPolarHBondContact O-CB 3.38Å; T114-S117 PolarHBondContact O-N 3.14Å; S117-I119 VanDerWaalsContact C-N 3.31Å; S117-I119 PolarHBondContact O-N 2.89Å; S117-Y120 WeakPolarHBondContact O-CB 3.47Å; S117-Y120 PolarHBondContact O-N 3.27Å; S117-Y120 VanDerWaalsContact O-N 3.11Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 3.04Å
118D98.6Very high98.4Very high73 Ų7346 Ų4639%0.3923%0.227SC..Hα-helixtrans-61.5-38.6176.6-76.3-28.7000111.8T114 T115 Y120 L121 N122T114-D118 PolarHBondContact O-N 3.46Å; T115-D118 PolarHBondContact O-N 3.25Å; D118-Y120 VanDerWaalsContact C-N 3.34Å; D118-L121 PolarHBondContact O-N 3.4Å; D118-N122 WeakPolarHBondContact O-CB 3.38Å; D118-N122 PolarHBondContact O-N 2.98Å; D118-N122 PolarHBondContact O-ND2 2.92Å; D118-N122 VanDerWaalsContact O-ND2 3.1Å
119I98.7Very high98.4Very high49 Ų4943.9 Ų43.925%0.25123%0.225SC..Hα-helixtrans-63.5-41.6174.3-70.3164.9000110.6T115 L116 S117 N123 I124 T293 A297T115-I119 HydrophobicContact CG2-CD1 4.1Å; T115-I119 VanDerWaalsContact O-CG1 3.29Å; T115-I119 WeakPolarHBondContact O-CG1 3.32Å; T115-I119 PolarHBondContact O-N 3.42Å; L116-I119 PolarHBondContact O-N 3.04Å; S117-I119 VanDerWaalsContact C-N 3.31Å; S117-I119 PolarHBondContact O-N 2.89Å; I119-N123 HydrophobicContact CG2-CB 4.41Å; I119-N123 WeakPolarHBondContact O-CA 3.37Å; I119-N123 WeakPolarHBondContact O-CB 3.38Å; I119-N123 PolarHBondContact O-N 3.49Å; I119-I124 HydrophobicContact CG2-CD1 4.3Å; I119-I124 HydrophobicContact CG2-CG1 4.2Å; I119-I124 PolarHBondContact O-N 3.46Å; I119-T293 HydrophobicContact CG2-CG2 4.32Å; I119-A297 HydrophobicContact CD1-CB 3.95Å; I119-A297 HydrophobicContact CG2-CB 4.08Å
120Y98.6Very high98.3Very high0 Ų048 Ų480%024%0.244CC..Iπ-helixtrans-63.2-48.8177.6-63.7-11.8000111.5F53 K56 A57 E60 L116 S117 D118 I124 I125 F294 E298F53-Y120 AromaticContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD1 3.98Å; F53-Y120 HydrophobicContact CD1-CD2 4.27Å; F53-Y120 HydrophobicContact CD1-CE1 4.2Å; F53-Y120 HydrophobicContact CD1-CE2 4.48Å; F53-Y120 AromaticContact CD1-CG 4Å; F53-Y120 HydrophobicContact CD1-CG 4Å; F53-Y120 HydrophobicContact CE1-CD1 4.28Å; F53-Y120 HydrophobicContact CE1-CE1 4.12Å; K56-Y120 HydrophobicContact CB-CD2 4.3Å; K56-Y120 HydrophobicContact CB-CE2 4.1Å; K56-Y120 HydrophobicContact CD-CE2 3.65Å; K56-Y120 HydrophobicContact CG-CD2 4.43Å; K56-Y120 HydrophobicContact CG-CE2 3.76Å; K56-Y120 PolarHBondContact NZ-OH 3.05Å; A57-Y120 HydrophobicContact CB-CD2 4.1Å; E60-Y120 HydrophobicContact CG-CD2 4.49Å; E60-Y120 HydrophobicContact CG-CE2 3.94Å; L116-Y120 HydrophobicContact CD1-CD1 4.45Å; L116-Y120 HydrophobicContact CD1-CE1 3.58Å; L116-Y120 HydrophobicContact CD1-CE2 4.44Å; L116-Y120 HydrophobicContact CD2-CE2 4.3Å; L116-Y120 WeakPolarHBondContact CD2-OH 3.42Å; L116-Y120 HydrophobicContact CG-CE1 3.95Å; L116-Y120 HydrophobicContact CG-CE2 3.91Å; L116-Y120 WeakPolarHBondContact O-CD1 3.44Å; L116-Y120 VanDerWaalsContact O-CG 3.29Å; L116-Y120 PolarHBondContact O-N 3.37Å; S117-Y120 WeakPolarHBondContact O-CB 3.47Å; S117-Y120 PolarHBondContact O-N 3.27Å; S117-Y120 VanDerWaalsContact O-N 3.11Å; D118-Y120 VanDerWaalsContact C-N 3.34Å; Y120-I124 HydrophobicContact CD1-CD1 3.67Å; Y120-I124 HydrophobicContact CD1-CG1 4.43Å; Y120-I124 HydrophobicContact CE1-CD1 4.03Å; Y120-I124 PolarHBondContact O-N 3.45Å; Y120-I125 WeakPolarHBondContact O-CB 3.31Å; Y120-I125 VanDerWaalsContact O-CG1 3.28Å; Y120-I125 WeakPolarHBondContact O-CG1 3.47Å; Y120-I125 PolarHBondContact O-N 3.41Å; Y120-F294 AromaticContact CE1-CD2 3.92Å; Y120-F294 HydrophobicContact CE1-CD2 3.92Å; Y120-F294 WeakPolarHBondContact OH-CE2 3.37Å; Y120-E298 PolarHBondContact OH-OE1 3.41Å
121L98.6Very high98.2Very high73 Ų7348.2 Ų48.238%0.38225%0.245SC..Iπ-helixtrans-70.2-42.6-177.2-68171.1000113.2A57 S117 D118 I125 P126A57-L121 HydrophobicContact CB-CD1 4.35Å; A57-L121 HydrophobicContact CB-CD2 3.98Å; A57-L121 HydrophobicContact CB-CG 3.83Å; S117-L121 WeakPolarHBondContact O-CG 3.49Å; S117-L121 PolarHBondContact O-N 3.04Å; D118-L121 PolarHBondContact O-N 3.4Å; L121-I125 HydrophobicContact CD2-CD1 4.09Å; L121-P126 VanDerWaalsContact O-CD 3.22Å; L121-P126 WeakPolarHBondContact O-CD 3.26Å; L121-P126 WeakPolarHBondContact O-CG 3.29Å
122N98.3Very high98Very high118 Ų11842.2 Ų42.263%0.63123%0.227SC*.Iπ-helixtrans-101.3-9.6-168.2-56.5-46.9000113.6D118D118-N122 WeakPolarHBondContact O-CB 3.38Å; D118-N122 PolarHBondContact O-N 2.98Å; D118-N122 PolarHBondContact O-ND2 2.92Å; D118-N122 VanDerWaalsContact O-ND2 3.1Å
123N98.1Very high97.7Very high56 Ų5647 Ų4730%0.29925%0.247SC..Iπ-helixtrans-128.8-57.4-177.8-164-22.8000112.2I119 R127I119-N123 HydrophobicContact CG2-CB 4.41Å; I119-N123 WeakPolarHBondContact O-CA 3.37Å; I119-N123 WeakPolarHBondContact O-CB 3.38Å; I119-N123 PolarHBondContact O-N 3.49Å; N123-R127 VanDerWaalsContact O-CG 3.26Å; N123-R127 WeakPolarHBondContact O-CG 3.48Å; N123-R127 PolarHBondContact O-N 3.21Å; N123-R127 VanDerWaalsContact OD1-CZ 3.27Å; N123-R127 PolarHBondContact OD1-NE 2.82Å; N123-R127 PolarHBondContact OD1-NH2 3.34Å
124I98.4Very high97.4Very high0 Ų047.9 Ų47.90%025%0.253CS..Iπ-helixtrans-71.6-52-172.6-58.1-169.3000112.1F53 I119 Y120 R127 F128 T293 F294F53-I124 HydrophobicContact CD1-CG2 4.26Å; F53-I124 HydrophobicContact CD2-CG2 3.89Å; F53-I124 HydrophobicContact CE1-CD1 4.27Å; F53-I124 HydrophobicContact CE1-CG2 4.4Å; F53-I124 HydrophobicContact CE2-CG2 4.04Å; F53-I124 HydrophobicContact CG-CG2 4.01Å; F53-I124 HydrophobicContact CZ-CG2 4.3Å; I119-I124 HydrophobicContact CG2-CD1 4.3Å; I119-I124 HydrophobicContact CG2-CG1 4.2Å; I119-I124 PolarHBondContact O-N 3.46Å; Y120-I124 HydrophobicContact CD1-CD1 3.67Å; Y120-I124 HydrophobicContact CD1-CG1 4.43Å; Y120-I124 HydrophobicContact CE1-CD1 4.03Å; Y120-I124 PolarHBondContact O-N 3.45Å; I124-R127 WeakPolarHBondContact O-CB 3.35Å; I124-R127 PolarHBondContact O-N 3.36Å; I124-R127 VanDerWaalsContact O-N 3.15Å; I124-F128 HydrophobicContact CG2-CD2 3.91Å; I124-F128 HydrophobicContact CG2-CE2 3.34Å; I124-F128 HydrophobicContact CG2-CZ 4.12Å; I124-F128 WeakPolarHBondContact O-CD2 3.49Å; I124-F128 PolarHBondContact O-N 3.42Å; I124-T293 HydrophobicContact CD1-CG2 4.4Å; I124-T293 HydrophobicContact CG1-CG2 4.02Å; I124-F294 HydrophobicContact CD1-CB 3.66Å
125I98.6Very high97Very high14 Ų1446.8 Ų46.87%0.07225%0.247CC..Hα-helixtrans-59.2-47.8179.5-67.2168.3000111.1Q50 F53 R54 Y120 L121 R127 F128 V129Q50-I125 HydrophobicContact CG-CG2 4.49Å; F53-I125 HydrophobicContact CB-CD1 4.21Å; F53-I125 HydrophobicContact CB-CG1 3.8Å; R54-I125 HydrophobicContact CB-CD1 3.93Å; Y120-I125 WeakPolarHBondContact O-CB 3.31Å; Y120-I125 VanDerWaalsContact O-CG1 3.28Å; Y120-I125 WeakPolarHBondContact O-CG1 3.47Å; Y120-I125 PolarHBondContact O-N 3.41Å; L121-I125 HydrophobicContact CD2-CD1 4.09Å; I125-R127 PolarHBondContact O-N 2.82Å; I125-F128 PolarHBondContact O-N 3.35Å; I125-V129 HydrophobicContact CG2-CG2 4.35Å; I125-V129 WeakPolarHBondContact O-CG2 3.43Å; I125-V129 PolarHBondContact O-N 2.95Å
126P98.4Very high96.6Very high58 Ų5845 Ų4538%0.37724%0.243SC..Hα-helixtrans-57.7-33.8176.1-28.836.9000114L121 V129 Q130L121-P126 VanDerWaalsContact O-CD 3.22Å; L121-P126 WeakPolarHBondContact O-CD 3.26Å; L121-P126 WeakPolarHBondContact O-CG 3.29Å; P126-V129 PolarHBondContact O-N 2.87Å; P126-Q130 WeakPolarHBondContact O-CB 3.43Å; P126-Q130 PolarHBondContact O-N 2.97Å
127R97.9Very high96.3Very high72 Ų7251.7 Ų51.727%0.27227%0.268SS..Hα-helixtrans-64.5-44174.1-74.1173.8-169.3-66.5-8.7111.8N123 I124 I125 Q130 V131 A290N123-R127 VanDerWaalsContact O-CG 3.26Å; N123-R127 WeakPolarHBondContact O-CG 3.48Å; N123-R127 PolarHBondContact O-N 3.21Å; N123-R127 VanDerWaalsContact OD1-CZ 3.27Å; N123-R127 PolarHBondContact OD1-NE 2.82Å; N123-R127 PolarHBondContact OD1-NH2 3.34Å; I124-R127 WeakPolarHBondContact O-CB 3.35Å; I124-R127 PolarHBondContact O-N 3.36Å; I124-R127 VanDerWaalsContact O-N 3.15Å; I125-R127 PolarHBondContact O-N 2.82Å; R127-Q130 PolarHBondContact O-N 3.37Å; R127-V131 WeakPolarHBondContact O-CG2 3.41Å; R127-V131 PolarHBondContact O-N 3.16Å; R127-A290 HydrophobicContact CB-CB 4.2Å
128F98.1Very high95.9Very high0 Ų053.7 Ų53.70%028%0.279CS..Hα-helixtrans-66.8-38.4177.9-67.2-50.5000112.5L46 L49 Q50 F53 I124 I125 V131 S132 L287 A290 L291L46-F128 HydrophobicContact CD2-CD1 3.87Å; L49-F128 HydrophobicContact CB-CD2 4.14Å; L49-F128 HydrophobicContact CB-CE1 4.46Å; L49-F128 HydrophobicContact CB-CE2 4.05Å; L49-F128 HydrophobicContact CB-CG 4.37Å; L49-F128 HydrophobicContact CB-CZ 4.23Å; L49-F128 HydrophobicContact CD1-CD1 4.36Å; L49-F128 HydrophobicContact CD1-CE1 3.92Å; L49-F128 HydrophobicContact CD1-CZ 4.15Å; L49-F128 HydrophobicContact CD2-CZ 4.49Å; Q50-F128 HydrophobicContact CG-CB 3.5Å; Q50-F128 HydrophobicContact CG-CG 4.44Å; F53-F128 HydrophobicContact CD2-CD2 4.33Å; F53-F128 AromaticContact CD2-CE2 3.58Å; F53-F128 HydrophobicContact CD2-CE2 3.58Å; F53-F128 HydrophobicContact CD2-CZ 4.48Å; F53-F128 AromaticContact CE2-CE2 3.68Å; F53-F128 HydrophobicContact CE2-CE2 3.68Å; F53-F128 HydrophobicContact CE2-CZ 4.17Å; I124-F128 HydrophobicContact CG2-CD2 3.91Å; I124-F128 HydrophobicContact CG2-CE2 3.34Å; I124-F128 HydrophobicContact CG2-CZ 4.12Å; I124-F128 WeakPolarHBondContact O-CD2 3.49Å; I124-F128 PolarHBondContact O-N 3.42Å; I125-F128 PolarHBondContact O-N 3.35Å; F128-V131 PolarHBondContact O-N 3.03Å; F128-S132 WeakPolarHBondContact O-CB 3.2Å; F128-S132 PolarHBondContact O-N 2.65Å; F128-L287 HydrophobicContact CD1-CD1 4.5Å; F128-L287 HydrophobicContact CE1-CD1 3.64Å; F128-L287 HydrophobicContact CZ-CD1 4.44Å; F128-A290 HydrophobicContact CD1-CB 4.19Å; F128-A290 HydrophobicContact CE1-CB 3.52Å; F128-A290 HydrophobicContact CE2-CB 4.47Å; F128-A290 HydrophobicContact CZ-CB 3.7Å; F128-L291 HydrophobicContact CZ-CD2 4.28Å
129V97.2Very high95.6Very high50 Ų5051.6 Ų51.630%0.30327%0.266SS..Hα-helixtrans-56.9-51.9172174.50000110Q50 I125 P126 V131 S132 E133Q50-V129 HydrophobicContact CG-CG2 4.45Å; I125-V129 HydrophobicContact CG2-CG2 4.35Å; I125-V129 WeakPolarHBondContact O-CG2 3.43Å; I125-V129 PolarHBondContact O-N 2.95Å; P126-V129 PolarHBondContact O-N 2.87Å; V129-V131 PolarHBondContact O-N 3.3Å; V129-S132 WeakPolarHBondContact O-CB 3.39Å; V129-S132 PolarHBondContact O-N 2.76Å; V129-E133 WeakPolarHBondContact O-CG 3.35Å; V129-E133 PolarHBondContact O-N 3.06Å
130Q96Very high95.3Very high111 Ų11155.8 Ų55.852%0.51928%0.283SS..Hα-helixtrans-60-45.1179.2-174.1-171-20.200112P126 R127 S132 E133 D134P126-Q130 WeakPolarHBondContact O-CB 3.43Å; P126-Q130 PolarHBondContact O-N 2.97Å; R127-Q130 PolarHBondContact O-N 3.37Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 3.19Å; Q130-E133 PolarHBondContact O-N 3.22Å; Q130-D134 WeakPolarHBondContact O-CB 3.44Å; Q130-D134 PolarHBondContact O-N 2.91Å
131V95.8Very high95Very high10 Ų1062.1 Ų62.16%0.06131%0.31CS..Hα-helixtrans-63.1-37.8178.5175.70000111L46 R127 F128 V129 D134 S135 Y283L46-V131 HydrophobicContact CD1-CB 4.46Å; L46-V131 HydrophobicContact CD1-CG1 3.89Å; L46-V131 HydrophobicContact CD2-CB 4.42Å; L46-V131 HydrophobicContact CD2-CG1 4.03Å; R127-V131 WeakPolarHBondContact O-CG2 3.41Å; R127-V131 PolarHBondContact O-N 3.16Å; F128-V131 PolarHBondContact O-N 3.03Å; V129-V131 PolarHBondContact O-N 3.3Å; V131-D134 PolarHBondContact O-N 3.23Å; V131-S135 WeakPolarHBondContact O-CB 3.18Å; V131-S135 PolarHBondContact O-N 3.44Å; V131-S135 PolarHBondContact O-OG 3.43Å; V131-S135 VanDerWaalsContact O-OG 3.05Å; V131-Y283 HydrophobicContact CG1-CD2 4.04Å; V131-Y283 HydrophobicContact CG1-CE2 4.42Å
132S94.3Very high94.7Very high26 Ų2659 Ų5918%0.18230%0.295CS..Hα-helixtrans-62.8-46.7176.3-170.20000111.8F128 V129 Q130 S135 G136F128-S132 WeakPolarHBondContact O-CB 3.2Å; F128-S132 PolarHBondContact O-N 2.65Å; V129-S132 WeakPolarHBondContact O-CB 3.39Å; V129-S132 PolarHBondContact O-N 2.76Å; Q130-S132 VanDerWaalsContact C-N 3.28Å; Q130-S132 PolarHBondContact O-N 3.19Å; S132-S135 PolarHBondContact O-N 3.01Å; S132-G136 PolarHBondContact O-N 3.1Å
133E93.8Very high94.5Very high134 Ų13457 Ų5763%0.62628%0.28SS*.Hα-helixtrans-62.1-45.4175.9-68.2176.917600112.2V129 Q130 G136 R137V129-E133 WeakPolarHBondContact O-CG 3.35Å; V129-E133 PolarHBondContact O-N 3.06Å; Q130-E133 PolarHBondContact O-N 3.22Å; E133-G136 PolarHBondContact O-N 3.28Å; E133-R137 PolarHBondContact O-N 3.31Å
134D91.9Very high94.3Very high44 Ų4459.7 Ų59.724%0.23529%0.291CS..Hα-helixtrans-64.8-42.2178.3-78.7-31000111.4Q130 V131 R137 L138Q130-D134 WeakPolarHBondContact O-CB 3.44Å; Q130-D134 PolarHBondContact O-N 2.91Å; V131-D134 PolarHBondContact O-N 3.23Å; D134-R137 PolarHBondContact O-N 2.88Å; D134-R137 IonicContact OD1-CZ 2.75Å; D134-R137 VanDerWaalsContact OD1-CZ 3.24Å; D134-R137 IonicContact OD1-NH1 3.74Å; D134-R137 PolarHBondContact OD1-NH1 3.28Å; D134-R137 IonicContact OD1-NH2 2.73Å; D134-R137 PolarHBondContact OD1-NH2 3.32Å; D134-L138 WeakPolarHBondContact O-CB 3.45Å; D134-L138 WeakPolarHBondContact O-CG 3.46Å; D134-L138 PolarHBondContact O-N 3.42Å
135S91Very high94.2Very high19 Ų1963.5 Ų63.513%0.13331%0.314CS..Hα-helixtrans-62.9-43.9175.6-74.50000111.9V131 S132 R137 L138 F139V131-S135 WeakPolarHBondContact O-CB 3.18Å; V131-S135 PolarHBondContact O-N 3.44Å; V131-S135 PolarHBondContact O-OG 3.43Å; V131-S135 VanDerWaalsContact O-OG 3.05Å; S132-S135 PolarHBondContact O-N 3.01Å; S135-R137 PolarHBondContact O-N 3.2Å; S135-L138 PolarHBondContact O-N 3.47Å; S135-F139 WeakPolarHBondContact O-CB 3.3Å; S135-F139 PolarHBondContact O-N 3.12Å
136G89.8Confident94.1Very high35 Ų3562.9 Ų62.936%0.36131%0.311SS..Hα-helixtrans-61.2-42.8175.300000112.5S132 E133 K140S132-G136 PolarHBondContact O-N 3.1Å; E133-G136 PolarHBondContact O-N 3.28Å; G136-K140 PolarHBondContact O-N 2.99Å
137R92.3Very high93.9Very high143 Ų14363.9 Ų63.954%0.5431%0.311SS..Hα-helixtrans-66.1-46.6176.7-176-172.566.5-145-11.1112.4E133 D134 S135 K141E133-R137 PolarHBondContact O-N 3.31Å; D134-R137 PolarHBondContact O-N 2.88Å; D134-R137 IonicContact OD1-CZ 2.75Å; D134-R137 VanDerWaalsContact OD1-CZ 3.24Å; D134-R137 IonicContact OD1-NH1 3.74Å; D134-R137 PolarHBondContact OD1-NH1 3.28Å; D134-R137 IonicContact OD1-NH2 2.73Å; D134-R137 PolarHBondContact OD1-NH2 3.32Å; S135-R137 PolarHBondContact O-N 3.2Å; R137-K141 PolarHBondContact O-N 3.06Å
138L90.3Very high93.9Very high42 Ų4265 Ų6522%0.2232%0.319CS..Hα-helixtrans-64.9-44.9-179.8-82.6162.5000111D134 S135 K140 K141 S142 L281D134-L138 WeakPolarHBondContact O-CB 3.45Å; D134-L138 WeakPolarHBondContact O-CG 3.46Å; D134-L138 PolarHBondContact O-N 3.42Å; S135-L138 PolarHBondContact O-N 3.47Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-K140 PolarHBondContact O-N 3.46Å; L138-K141 PolarHBondContact O-N 3.02Å; L138-K141 VanDerWaalsContact O-N 3.1Å; L138-S142 PolarHBondContact O-N 2.98Å; L138-S142 PolarHBondContact O-OG 3.26Å; L138-L281 WeakPolarHBondContact CD1-O 3.26Å; L138-L281 HydrophobicContact CD2-CD2 4.21Å
139F90.9Very high93.9Very high29 Ų2967.1 Ų67.113%0.12733%0.33CS..Hα-helixtrans-58.8-44.7177.9-179.5-105.5000112.4L35 D36 C39 S135 K141 S142 K143L35-F139 HydrophobicContact CB-CE2 4.28Å; L35-F139 VanDerWaalsContact O-CE2 3.31Å; L35-F139 WeakPolarHBondContact O-CE2 3.24Å; D36-F139 HydrophobicContact CB-CZ 4.4Å; D36-F139 VanDerWaalsContact OD1-CE1 3.29Å; D36-F139 WeakPolarHBondContact OD1-CE1 3.37Å; D36-F139 WeakPolarHBondContact OD1-CZ 3.25Å; C39-F139 HydrophobicContact CB-CB 4.44Å; C39-F139 HydrophobicContact CB-CD1 3.79Å; C39-F139 HydrophobicContact CB-CD2 3.49Å; C39-F139 VanDerWaalsContact CB-CD2 3.49Å; C39-F139 HydrophobicContact CB-CE1 3.85Å; C39-F139 HydrophobicContact CB-CE2 3.57Å; C39-F139 HydrophobicContact CB-CG 3.61Å; C39-F139 HydrophobicContact CB-CZ 3.76Å; C39-F139 VanDerWaalsContact SG-CB 3.55Å; C39-F139 WeakPolarHBondContact SG-CD1 3.45Å; C39-F139 WeakPolarHBondContact SG-CG 3.47Å; S135-F139 WeakPolarHBondContact O-CB 3.3Å; S135-F139 PolarHBondContact O-N 3.12Å; F139-K141 VanDerWaalsContact C-N 3.27Å; F139-K141 PolarHBondContact O-N 3.29Å; F139-S142 PolarHBondContact O-N 2.9Å; F139-K143 HydrophobicContact CE1-CD 4.29Å; F139-K143 WeakPolarHBondContact O-CB 3.32Å; F139-K143 PolarHBondContact O-N 3.43Å
140K92.3Very high93.9Very high138 Ų13865.4 Ų65.460%0.632%0.319SS*.Hα-helixtrans-56.2-43.4176-175.8179.2176.5-178.70111.8G136 L138 K143 E144G136-K140 PolarHBondContact O-N 2.99Å; L138-K140 VanDerWaalsContact C-N 3.34Å; L138-K140 PolarHBondContact O-N 3.46Å; K140-K143 PolarHBondContact O-N 3.26Å; K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 3.34Å; K140-E144 VanDerWaalsContact O-N 3.15Å
141K93.6Very high93.9Very high132 Ų13263.4 Ų63.457%0.57431%0.312SS*.Hα-helixtrans-68-44.2177.4-71.2-170.7172.8-163.50112.3R137 L138 F139 K143 E144 V145R137-K141 PolarHBondContact O-N 3.06Å; L138-K141 PolarHBondContact O-N 3.02Å; L138-K141 VanDerWaalsContact O-N 3.1Å; F139-K141 VanDerWaalsContact C-N 3.27Å; F139-K141 PolarHBondContact O-N 3.29Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 2.92Å; K141-E144 WeakPolarHBondContact O-CB 3.31Å; K141-E144 PolarHBondContact O-N 3.41Å; K141-V145 WeakPolarHBondContact O-CG2 2.85Å; K141-V145 PolarHBondContact O-N 2.88Å
142S92.4Very high94Very high9 Ų966 Ų666%0.06333%0.325CS..Hα-helixtrans-60.9-39.9176.5-58.40000110.9L138 F139 E144 V145 G146 L275 C278 C279L138-S142 PolarHBondContact O-N 2.98Å; L138-S142 PolarHBondContact O-OG 3.26Å; F139-S142 PolarHBondContact O-N 2.9Å; S142-E144 PolarHBondContact O-N 3.43Å; S142-V145 PolarHBondContact O-N 2.85Å; S142-G146 PolarHBondContact O-N 3.44Å; S142-L275 WeakPolarHBondContact O-CD1 3.35Å; S142-C278 PolarHBondContact OG-O 2.87Å; S142-C279 WeakPolarHBondContact CB-SG 3.47Å
143K92.6Very high94.2Very high74 Ų7465 Ų6532%0.32232%0.318SS..Hα-helixtrans-60.2-43174.4-176.4168.7-169.4161.90112.8M32 D36 F139 K140 K141 V145 G146 Q147M32-K143 HydrophobicContact SD-CD 4.4Å; M32-K143 HydrophobicContact SD-CG 3.82Å; D36-K143 WeakPolarHBondContact OD1-CE 3.14Å; D36-K143 IonicContact OD1-NZ 3.49Å; D36-K143 PolarHBondContact OD1-NZ 3.42Å; D36-K143 IonicContact OD2-NZ 2.93Å; D36-K143 PolarHBondContact OD2-NZ 3.03Å; F139-K143 HydrophobicContact CE1-CD 4.29Å; F139-K143 WeakPolarHBondContact O-CB 3.32Å; F139-K143 PolarHBondContact O-N 3.43Å; K140-K143 PolarHBondContact O-N 3.26Å; K141-K143 VanDerWaalsContact C-N 3.27Å; K141-K143 PolarHBondContact O-N 2.92Å; K143-V145 VanDerWaalsContact C-N 3.35Å; K143-G146 PolarHBondContact O-N 3.49Å; K143-Q147 WeakPolarHBondContact O-CB 3.39Å; K143-Q147 PolarHBondContact O-N 3.36Å
144E95.1Very high94.4Very high114 Ų11459.7 Ų59.753%0.53329%0.293SS..Hα-helixtrans-60.9-42.7175-71.2167.2-171.900111.5K140 K141 S142 Q147 Q148K140-E144 WeakPolarHBondContact O-CG 3.43Å; K140-E144 PolarHBondContact O-N 3.34Å; K140-E144 VanDerWaalsContact O-N 3.15Å; K141-E144 WeakPolarHBondContact O-CB 3.31Å; K141-E144 PolarHBondContact O-N 3.41Å; S142-E144 PolarHBondContact O-N 3.43Å; E144-Q147 PolarHBondContact O-N 3.24Å; E144-Q148 PolarHBondContact O-N 3.45Å; E144-Q148 VanDerWaalsContact O-N 3.08Å
145V95.9Very high94.6Very high80 Ų8062.6 Ų62.649%0.48530%0.304SS..Hα-helixtrans-65.1-45.2175.1175.50000111.4K141 S142 K143 Q147 Q148 L149 L275K141-V145 WeakPolarHBondContact O-CG2 2.85Å; K141-V145 PolarHBondContact O-N 2.88Å; S142-V145 PolarHBondContact O-N 2.85Å; K143-V145 VanDerWaalsContact C-N 3.35Å; V145-Q147 VanDerWaalsContact C-N 3.34Å; V145-Q147 PolarHBondContact O-N 3.38Å; V145-Q148 WeakPolarHBondContact O-CB 3.36Å; V145-Q148 PolarHBondContact O-N 3.13Å; V145-L149 HydrophobicContact CG1-CD1 4.22Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 2.94Å; V145-L275 HydrophobicContact CB-CD1 4.27Å; V145-L275 HydrophobicContact CG1-CD1 4.19Å
146G95.6Very high94.9Very high0 Ų063.2 Ų63.20%031%0.307CS..Hα-helixtrans-59.6-43.2176.900000112.3S142 K143 Q148 L149 Q150S142-G146 PolarHBondContact O-N 3.44Å; K143-G146 PolarHBondContact O-N 3.49Å; G146-Q148 PolarHBondContact O-N 3.11Å; G146-L149 PolarHBondContact O-N 2.86Å; G146-Q150 WeakPolarHBondContact O-CG 3.33Å; G146-Q150 PolarHBondContact O-N 3.45Å
147Q96.1Very high95.2Very high79 Ų7961.8 Ų61.837%0.36929%0.291SS..Hα-helixtrans-62.7-42.5175.7-171.862.556.400111.7K143 E144 V145 L149 Q150 D151K143-Q147 WeakPolarHBondContact O-CB 3.39Å; K143-Q147 PolarHBondContact O-N 3.36Å; E144-Q147 PolarHBondContact O-N 3.24Å; V145-Q147 VanDerWaalsContact C-N 3.34Å; V145-Q147 PolarHBondContact O-N 3.38Å; Q147-L149 PolarHBondContact O-N 2.97Å; Q147-Q150 PolarHBondContact O-N 3.24Å; Q147-D151 PolarHBondContact NE2-OD1 3.16Å; Q147-D151 WeakPolarHBondContact O-CB 3.49Å; Q147-D151 VanDerWaalsContact O-CG 3.26Å; Q147-D151 PolarHBondContact O-N 3.02Å
148Q97.2Very high95.3Very high97 Ų9759.1 Ų59.145%0.45329%0.287SS..Hα-helixtrans-60.9-44.2176.8-178.16250.100111.9E144 V145 G146 Q150 D151 D152E144-Q148 PolarHBondContact O-N 3.45Å; E144-Q148 VanDerWaalsContact O-N 3.08Å; V145-Q148 WeakPolarHBondContact O-CB 3.36Å; V145-Q148 PolarHBondContact O-N 3.13Å; G146-Q148 PolarHBondContact O-N 3.11Å; Q148-Q150 VanDerWaalsContact C-N 3.35Å; Q148-Q150 PolarHBondContact O-N 3.35Å; Q148-D151 PolarHBondContact O-N 2.88Å; Q148-D152 PolarHBondContact NE2-OD1 3.43Å; Q148-D152 VanDerWaalsContact NE2-OD1 3.08Å; Q148-D152 PolarHBondContact NE2-OD2 2.93Å; Q148-D152 PolarHBondContact O-N 3.41Å
149L97.1Very high95.6Very high43 Ų4362.6 Ų62.623%0.22530%0.302CS..Hα-helixtrans-61.4-42.5176.4-69.3170.4000112V145 G146 Q147 L153 Y267 D271V145-L149 HydrophobicContact CG1-CD1 4.22Å; V145-L149 WeakPolarHBondContact O-CG 3.41Å; V145-L149 PolarHBondContact O-N 2.94Å; G146-L149 PolarHBondContact O-N 2.86Å; Q147-L149 PolarHBondContact O-N 2.97Å; L149-L153 WeakPolarHBondContact O-CB 3.47Å; L149-L153 PolarHBondContact O-N 2.89Å; L149-Y267 HydrophobicContact CB-CD2 4.16Å; L149-Y267 HydrophobicContact CB-CE2 3.99Å; L149-D271 HydrophobicContact CD1-CB 4.1Å; L149-D271 HydrophobicContact CD2-CB 4.42Å
150Q97.3Very high95.8Very high14 Ų1461.4 Ų61.47%0.06530%0.297CS..Hα-helixtrans-65.5-43.2176.4-70.4-173.11.600112.2L28 G146 Q147 Q148 D152 L153 M154 Y267L28-Q150 HydrophobicContact CB-CG 4.25Å; L28-Q150 HydrophobicContact CD1-CB 4.18Å; L28-Q150 HydrophobicContact CD1-CG 4.22Å; L28-Q150 HydrophobicContact CD2-CG 4.18Å; L28-Q150 HydrophobicContact CG-CG 4.43Å; L28-Q150 PolarHBondContact O-NE2 3.38Å; G146-Q150 WeakPolarHBondContact O-CG 3.33Å; G146-Q150 PolarHBondContact O-N 3.45Å; Q147-Q150 PolarHBondContact O-N 3.24Å; Q148-Q150 VanDerWaalsContact C-N 3.35Å; Q148-Q150 PolarHBondContact O-N 3.35Å; Q150-D152 VanDerWaalsContact C-N 3.35Å; Q150-D152 PolarHBondContact O-N 2.9Å; Q150-L153 PolarHBondContact O-N 3.16Å; Q150-M154 WeakPolarHBondContact O-CB 3.36Å; Q150-M154 VanDerWaalsContact O-CG 3.32Å; Q150-M154 WeakPolarHBondContact O-CG 3.47Å; Q150-M154 PolarHBondContact O-N 3.12Å; Q150-Y267 HydrophobicContact CG-CE2 4.11Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.31Å; Q150-Y267 PolarHBondContact NE2-OH 3.24Å
151D97.6Very high95.9Very high69 Ų6959 Ų5937%0.36929%0.285SS..Hα-helixtrans-62.8-41.8178.5-74.1-7.3000111.4Q147 Q148 M154 K155Q147-D151 PolarHBondContact NE2-OD1 3.16Å; Q147-D151 WeakPolarHBondContact O-CB 3.49Å; Q147-D151 VanDerWaalsContact O-CG 3.26Å; Q147-D151 PolarHBondContact O-N 3.02Å; Q148-D151 PolarHBondContact O-N 2.88Å; D151-M154 PolarHBondContact O-N 3.05Å; D151-K155 WeakPolarHBondContact O-CG 3.44Å; D151-K155 PolarHBondContact O-N 3.38Å
152D97.5Very high95.9Very high64 Ų6455.8 Ų55.834%0.34228%0.279SS..Hα-helixtrans-68.8-40.3178.2-69.2-24000112Q148 Q150 M154 K155 V156Q148-D152 PolarHBondContact NE2-OD1 3.43Å; Q148-D152 VanDerWaalsContact NE2-OD1 3.08Å; Q148-D152 PolarHBondContact NE2-OD2 2.93Å; Q148-D152 PolarHBondContact O-N 3.41Å; Q150-D152 VanDerWaalsContact C-N 3.35Å; Q150-D152 PolarHBondContact O-N 2.9Å; D152-M154 VanDerWaalsContact C-N 3.33Å; D152-M154 PolarHBondContact O-N 3.11Å; D152-K155 WeakPolarHBondContact O-CB 3.49Å; D152-K155 PolarHBondContact O-N 2.94Å; D152-K155 IonicContact OD1-NZ 3.48Å; D152-K155 PolarHBondContact OD1-NZ 3.07Å; D152-V156 WeakPolarHBondContact O-CG2 3.23Å; D152-V156 PolarHBondContact O-N 2.85Å
153L97.6Very high96.1Very high7 Ų757 Ų574%0.03729%0.286CS..Hα-helixtrans-60.4-43.8172.7-179.862.1000111.6L28 L149 Q150 K155 V156 L157 V264 Y267 Y268L28-L153 HydrophobicContact CD1-CD2 4.32Å; L28-L153 HydrophobicContact CD2-CD2 4.25Å; L149-L153 WeakPolarHBondContact O-CB 3.47Å; L149-L153 PolarHBondContact O-N 2.89Å; Q150-L153 PolarHBondContact O-N 3.16Å; L153-K155 VanDerWaalsContact C-N 3.31Å; L153-K155 PolarHBondContact O-N 3.43Å; L153-V156 PolarHBondContact O-N 3.46Å; L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.2Å; L153-L157 VanDerWaalsContact O-N 3.11Å; L153-V264 HydrophobicContact CD1-CB 4.48Å; L153-V264 HydrophobicContact CD1-CG2 3.84Å; L153-Y267 HydrophobicContact CD2-CD1 3.71Å; L153-Y267 HydrophobicContact CD2-CD2 4.33Å; L153-Y267 HydrophobicContact CD2-CE1 4.24Å; L153-Y267 HydrophobicContact CD2-CG 3.78Å; L153-Y268 HydrophobicContact CD2-CE2 4.4Å
154M97.3Very high96.2Very high22 Ų2253.6 Ų53.611%0.10827%0.271CS..Hα-helixtrans-64.6-33.4177.9-73.7-57.2-4600112.6V21 R25 L28 Q150 D151 D152 L157 N158V21-M154 HydrophobicContact CG1-CE 3.86Å; R25-M154 HydrophobicContact CB-CE 4.47Å; R25-M154 HydrophobicContact CB-SD 4.2Å; L28-M154 HydrophobicContact CD1-CG 4.05Å; L28-M154 HydrophobicContact CD1-SD 3.99Å; Q150-M154 WeakPolarHBondContact O-CB 3.36Å; Q150-M154 VanDerWaalsContact O-CG 3.32Å; Q150-M154 WeakPolarHBondContact O-CG 3.47Å; Q150-M154 PolarHBondContact O-N 3.12Å; D151-M154 PolarHBondContact O-N 3.05Å; D152-M154 VanDerWaalsContact C-N 3.33Å; D152-M154 PolarHBondContact O-N 3.11Å; M154-L157 HydrophobicContact SD-CD1 4.04Å; M154-N158 PolarHBondContact O-N 3.11Å; M154-N158 PolarHBondContact O-ND2 3.49Å
155K97.4Very high96.2Very high104 Ų10453.6 Ų53.645%0.45227%0.269SS..Hα-helixtrans-62.2-48.4172.7-72.1169.3-161.11560111.2D151 D152 L153 L157 N158 E159D151-K155 WeakPolarHBondContact O-CG 3.44Å; D151-K155 PolarHBondContact O-N 3.38Å; D152-K155 WeakPolarHBondContact O-CB 3.49Å; D152-K155 PolarHBondContact O-N 2.94Å; D152-K155 IonicContact OD1-NZ 3.48Å; D152-K155 PolarHBondContact OD1-NZ 3.07Å; L153-K155 VanDerWaalsContact C-N 3.31Å; L153-K155 PolarHBondContact O-N 3.43Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 2.92Å; K155-N158 PolarHBondContact O-N 2.96Å; K155-N158 VanDerWaalsContact O-N 3.09Å; K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 3.39Å
156V97.3Very high96.1Very high32 Ų3252.5 Ų52.519%0.19426%0.263CS..Hα-helixtrans-59.9-41.5179.8177.70000111.5D152 L153 E159 L160 T260D152-V156 WeakPolarHBondContact O-CG2 3.23Å; D152-V156 PolarHBondContact O-N 2.85Å; L153-V156 PolarHBondContact O-N 3.46Å; V156-E159 PolarHBondContact O-N 3.47Å; V156-L160 PolarHBondContact O-N 2.94Å; V156-T260 HydrophobicContact CG1-CG2 4.13Å
157L96.1Very high96.2Very high5 Ų554.7 Ų54.73%0.02627%0.272CS..Hα-helixtrans-63.1-42.4174.8-66172.3000112.3Y17 V21 I24 L153 M154 K155 E159 L160 Y161 T260 V264Y17-L157 WeakPolarHBondContact OH-CA 3.24Å; Y17-L157 PolarHBondContact OH-O 3.11Å; V21-L157 HydrophobicContact CG1-CB 4.48Å; V21-L157 HydrophobicContact CG1-CD1 4.49Å; V21-L157 HydrophobicContact CG2-CB 4.25Å; I24-L157 HydrophobicContact CB-CD1 4.47Å; I24-L157 HydrophobicContact CD1-CD1 4.11Å; I24-L157 HydrophobicContact CD1-CD2 4.34Å; I24-L157 HydrophobicContact CG2-CD1 3.97Å; L153-L157 HydrophobicContact CG-CD1 4.43Å; L153-L157 WeakPolarHBondContact O-CG 3.32Å; L153-L157 PolarHBondContact O-N 3.2Å; L153-L157 VanDerWaalsContact O-N 3.11Å; M154-L157 HydrophobicContact SD-CD1 4.04Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 2.92Å; L157-E159 VanDerWaalsContact C-N 3.33Å; L157-E159 PolarHBondContact O-N 2.98Å; L157-L160 PolarHBondContact O-N 2.85Å; L157-Y161 PolarHBondContact O-N 3.45Å; L157-T260 HydrophobicContact CD2-CG2 3.73Å; L157-V264 HydrophobicContact CD2-CG2 4.21Å
158N94.4Very high96.2Very high87 Ų8752 Ų5247%0.46526%0.259SS..Hα-helixtrans-68.2-31.8177.5-69.4-37.2000112.6M154 K155 Y161 S162M154-N158 PolarHBondContact O-N 3.11Å; M154-N158 PolarHBondContact O-ND2 3.49Å; K155-N158 PolarHBondContact O-N 2.96Å; K155-N158 VanDerWaalsContact O-N 3.09Å; N158-Y161 WeakPolarHBondContact O-CB 3.35Å; N158-Y161 PolarHBondContact O-N 3.33Å; N158-S162 PolarHBondContact O-N 2.97Å
159E96.1Very high96.1Very high116 Ų11651.9 Ų51.954%0.54226%0.26SS..Hα-helixtrans-63.8-45.4174.8-74.6171.3-170.400111.1K155 V156 L157 Y161 S162 V163K155-E159 WeakPolarHBondContact O-CG 3.46Å; K155-E159 PolarHBondContact O-N 3.39Å; V156-E159 PolarHBondContact O-N 3.47Å; L157-E159 VanDerWaalsContact C-N 3.33Å; L157-E159 PolarHBondContact O-N 2.98Å; E159-Y161 VanDerWaalsContact C-N 3.27Å; E159-Y161 PolarHBondContact O-N 2.7Å; E159-S162 WeakPolarHBondContact O-CB 3.34Å; E159-S162 PolarHBondContact O-N 2.68Å; E159-S162 PolarHBondContact O-OG 3.25Å; E159-V163 WeakPolarHBondContact O-CG2 3.36Å; E159-V163 PolarHBondContact O-N 3.24Å; E159-V163 VanDerWaalsContact O-N 3.13Å
160L95.7Very high96Very high3 Ų353.7 Ų53.72%0.01626%0.264CS..Hα-helixtrans-58.7-38.2178.6-171.162.7000112.4Y17 V156 L157 S162 V163 M164 Y253 A256 L257 T260Y17-L160 HydrophobicContact CE2-CD2 3.8Å; V156-L160 PolarHBondContact O-N 2.94Å; L157-L160 PolarHBondContact O-N 2.85Å; L160-S162 VanDerWaalsContact C-N 3.31Å; L160-S162 PolarHBondContact O-N 3.24Å; L160-V163 PolarHBondContact O-N 2.99Å; L160-M164 HydrophobicContact CG-CG 4.49Å; L160-M164 WeakPolarHBondContact O-CB 3.35Å; L160-M164 WeakPolarHBondContact O-CG 3.29Å; L160-M164 PolarHBondContact O-N 2.95Å; L160-Y253 HydrophobicContact CD1-CD2 3.75Å; L160-Y253 HydrophobicContact CD1-CE2 3.68Å; L160-Y253 HydrophobicContact CG-CE2 4.32Å; L160-A256 HydrophobicContact CD1-CB 3.9Å; L160-L257 HydrophobicContact CD1-CB 4.23Å; L160-L257 HydrophobicContact CD2-CD1 3.79Å; L160-T260 HydrophobicContact CD2-CG2 3.94Å
161Y93.6Very high95.9Very high89 Ų8955.6 Ų55.635%0.34927%0.274SS..Hα-helixtrans-53.9-47.2172.9178.9-81.3000112I14 Y17 L157 N158 E159 K165I14-Y161 HydrophobicContact CD1-CD2 4.23Å; I14-Y161 HydrophobicContact CD1-CE2 4.22Å; I14-Y161 HydrophobicContact CG2-CD2 4.05Å; I14-Y161 HydrophobicContact CG2-CE2 3.23Å; Y17-Y161 HydrophobicContact CD1-CD2 4.39Å; L157-Y161 PolarHBondContact O-N 3.45Å; N158-Y161 WeakPolarHBondContact O-CB 3.35Å; N158-Y161 PolarHBondContact O-N 3.33Å; E159-Y161 VanDerWaalsContact C-N 3.27Å; E159-Y161 PolarHBondContact O-N 2.7Å; Y161-K165 HydrophobicContact CE1-CD 4.49Å; Y161-K165 PolarHBondContact O-N 2.74Å; Y161-K165 VanDerWaalsContact O-N 3.16Å
162S94.3Very high95.7Very high63 Ų6355 Ų5544%0.44128%0.279SS..Hα-helixtrans-67.7-38.1-178.176.80000112.5N158 E159 L160 T166N158-S162 PolarHBondContact O-N 2.97Å; E159-S162 WeakPolarHBondContact O-CB 3.34Å; E159-S162 PolarHBondContact O-N 2.68Å; E159-S162 PolarHBondContact O-OG 3.25Å; L160-S162 VanDerWaalsContact C-N 3.31Å; L160-S162 PolarHBondContact O-N 3.24Å; S162-T166 PolarHBondContact O-N 2.97Å; S162-T166 VanDerWaalsContact O-N 3.16Å; S162-T166 PolarHBondContact O-OG1 3.35Å
163V96.4Very high95.6Very high35 Ų3555.4 Ų55.421%0.21228%0.282CS..Hα-helixtrans-69.3-43.5179.1-178.60000110.8E159 L160 K165 T166 Y167 E252 Y253 A256E159-V163 WeakPolarHBondContact O-CG2 3.36Å; E159-V163 PolarHBondContact O-N 3.24Å; E159-V163 VanDerWaalsContact O-N 3.13Å; L160-V163 PolarHBondContact O-N 2.99Å; V163-K165 PolarHBondContact O-N 2.94Å; V163-T166 PolarHBondContact O-N 3.43Å; V163-Y167 PolarHBondContact O-N 3.39Å; V163-E252 HydrophobicContact CG1-CB 4.3Å; V163-Y253 VanDerWaalsContact CG1-CA 3.44Å; V163-A256 HydrophobicContact CB-CB 4.46Å; V163-A256 HydrophobicContact CG1-CB 4.27Å; V163-A256 HydrophobicContact CG2-CB 4.26Å
164M95Very high95.5Very high3 Ų355.6 Ų55.62%0.01528%0.283CS..Hα-helixtrans-57.5-48174.4-76.7-167.7-59.200112.3I13 I14 Y17 L160 T166 Y167 H168 Y253I13-M164 HydrophobicContact CG2-SD 4.43Å; I14-M164 HydrophobicContact CD1-CB 4.19Å; I14-M164 HydrophobicContact CD1-CE 3.86Å; Y17-M164 HydrophobicContact CD1-CE 3.33Å; Y17-M164 HydrophobicContact CD2-CE 4.05Å; Y17-M164 HydrophobicContact CE1-CE 3.8Å; Y17-M164 HydrophobicContact CE2-CE 4.47Å; Y17-M164 HydrophobicContact CG-CE 3.46Å; Y17-M164 VanDerWaalsContact CG-CE 3.46Å; L160-M164 HydrophobicContact CG-CG 4.49Å; L160-M164 WeakPolarHBondContact O-CB 3.35Å; L160-M164 WeakPolarHBondContact O-CG 3.29Å; L160-M164 PolarHBondContact O-N 2.95Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 3.1Å; M164-Y167 WeakPolarHBondContact O-CB 3.35Å; M164-Y167 PolarHBondContact O-N 3.06Å; M164-H168 VanDerWaalsContact O-CG 3.24Å; M164-H168 PolarHBondContact O-N 3.43Å; M164-H168 PolarHBondContact O-ND1 3.24Å; M164-Y253 HydrophobicContact CG-CD2 3.6Å; M164-Y253 HydrophobicContact CG-CE2 3.23Å; M164-Y253 HydrophobicContact CG-CG 4.41Å; M164-Y253 HydrophobicContact SD-CE2 3.9Å
165K94Very high95.3Very high113 Ų11358.1 Ų58.149%0.49130%0.296SS..Hα-helixtrans-60.2-40.1179.7-170.2178.8-177.7178.30111.8Y161 V163 H168 M169Y161-K165 HydrophobicContact CE1-CD 4.49Å; Y161-K165 PolarHBondContact O-N 2.74Å; Y161-K165 VanDerWaalsContact O-N 3.16Å; V163-K165 PolarHBondContact O-N 2.94Å; K165-H168 PolarHBondContact O-N 3.15Å; K165-M169 WeakPolarHBondContact O-CB 3.46Å; K165-M169 PolarHBondContact O-N 3.3Å
166T95.4Very high95.1Very high57 Ų5755.6 Ų55.635%0.3529%0.292SS..Hα-helixtrans-64.1-43.9176.7-57.80000111.4S162 V163 M164 Y170S162-T166 PolarHBondContact O-N 2.97Å; S162-T166 VanDerWaalsContact O-N 3.16Å; S162-T166 PolarHBondContact O-OG1 3.35Å; V163-T166 PolarHBondContact O-N 3.43Å; M164-T166 VanDerWaalsContact C-N 3.28Å; M164-T166 PolarHBondContact O-N 3.1Å; T166-Y170 HydrophobicContact CG2-CD2 3.89Å; T166-Y170 HydrophobicContact CG2-CE2 3.5Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.5Å; T166-Y170 WeakPolarHBondContact O-CD2 3.34Å; T166-Y170 PolarHBondContact O-N 3.17Å; T166-Y170 VanDerWaalsContact O-N 3.15Å
167Y96.9Very high94.8Very high46 Ų4654.5 Ų54.518%0.1829%0.286CS..Hα-helixtrans-61.3-48.4173.2163.6-115.5000112.1V163 M164 M169 Y170 N171 R250 Y253V163-Y167 PolarHBondContact O-N 3.39Å; M164-Y167 WeakPolarHBondContact O-CB 3.35Å; M164-Y167 PolarHBondContact O-N 3.06Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 3.35Å; Y167-Y170 PolarHBondContact O-N 2.97Å; Y167-N171 HydrophobicContact CD2-CB 4.29Å; Y167-N171 HydrophobicContact CE2-CB 3.89Å; Y167-N171 WeakPolarHBondContact O-CB 3.27Å; Y167-N171 PolarHBondContact O-N 3.13Å; Y167-R250 HydrophobicContact CD2-CB 3.66Å; Y167-R250 HydrophobicContact CD2-CG 4.22Å; Y167-R250 HydrophobicContact CE2-CB 3.56Å; Y167-R250 HydrophobicContact CE2-CG 3.78Å; Y167-Y253 HydrophobicContact CD1-CD1 4.12Å
168H95.1Very high94.7Very high22 Ų2257.2 Ų57.210%0.10230%0.299CS..Hα-helixtrans-58.2-42.5179.9-65.1160.3000112.1D10 M164 K165 A172D10-H168 HydrophobicContact CB-CB 4.06Å; D10-H168 IonicContact OD1-CE1 2.73Å; D10-H168 IonicContact OD1-CG 2.62Å; D10-H168 IonicContact OD1-ND1 3.83Å; D10-H168 PolarHBondContact OD1-ND1 3.25Å; M164-H168 VanDerWaalsContact O-CG 3.24Å; M164-H168 PolarHBondContact O-N 3.43Å; M164-H168 PolarHBondContact O-ND1 3.24Å; K165-H168 PolarHBondContact O-N 3.15Å; H168-A172 WeakPolarHBondContact O-CB 3.47Å; H168-A172 PolarHBondContact O-N 3.29Å
169M94.9Very high94.6Very high95 Ų9556 Ų5647%0.46830%0.297SS..Hα-helixtrans-60.9-55176.5-178.4-178.560.800111.7K165 Y167 N171 A172 D173K165-M169 WeakPolarHBondContact O-CB 3.46Å; K165-M169 PolarHBondContact O-N 3.3Å; Y167-M169 VanDerWaalsContact C-N 3.31Å; Y167-M169 PolarHBondContact O-N 3.35Å; M169-N171 VanDerWaalsContact C-N 3.31Å; M169-N171 PolarHBondContact O-N 2.94Å; M169-A172 PolarHBondContact O-N 3.47Å; M169-D173 PolarHBondContact O-N 3.11Å
170Y96.3Very high94.4Very high82 Ų8255.5 Ų55.532%0.32229%0.293SS..Hα-helixtrans-67.7-31.7-178.6-66.3-37.8000113.1T166 Y167 D173 S174 K245 A249T166-Y170 HydrophobicContact CG2-CD2 3.89Å; T166-Y170 HydrophobicContact CG2-CE2 3.5Å; T166-Y170 VanDerWaalsContact CG2-CE2 3.5Å; T166-Y170 WeakPolarHBondContact O-CD2 3.34Å; T166-Y170 PolarHBondContact O-N 3.17Å; T166-Y170 VanDerWaalsContact O-N 3.15Å; Y167-Y170 PolarHBondContact O-N 2.97Å; Y170-D173 PolarHBondContact O-N 3.42Å; Y170-S174 WeakPolarHBondContact O-CB 3.31Å; Y170-S174 PolarHBondContact O-N 3.49Å; Y170-K245 HydrophobicContact CD2-CB 4.46Å; Y170-K245 HydrophobicContact CG-CB 4.27Å; Y170-A249 HydrophobicContact CD2-CB 3.73Å; Y170-A249 HydrophobicContact CE2-CB 4.46Å
171N95Very high94.2Very high53 Ų5355.6 Ų55.628%0.28329%0.293SS..Hα-helixtrans-66.8-41.9174.2-170.550.2000111.5Y167 M169 S174 I175Y167-N171 HydrophobicContact CD2-CB 4.29Å; Y167-N171 HydrophobicContact CE2-CB 3.89Å; Y167-N171 WeakPolarHBondContact O-CB 3.27Å; Y167-N171 PolarHBondContact O-N 3.13Å; M169-N171 VanDerWaalsContact C-N 3.31Å; M169-N171 PolarHBondContact O-N 2.94Å; N171-S174 WeakPolarHBondContact O-CB 3.23Å; N171-S174 PolarHBondContact O-N 3.07Å; N171-I175 VanDerWaalsContact O-CG1 3.3Å; N171-I175 WeakPolarHBondContact O-CG1 3.34Å; N171-I175 PolarHBondContact O-N 3.46Å
172A93.9Very high94Very high56 Ų5656.6 Ų56.646%0.46330%0.299SS..Hα-helixtrans-62.6-42.7173.800000112.1H168 M169 S174 I175 S176H168-A172 WeakPolarHBondContact O-CB 3.47Å; H168-A172 PolarHBondContact O-N 3.29Å; M169-A172 PolarHBondContact O-N 3.47Å; A172-S174 VanDerWaalsContact C-N 3.32Å; A172-S174 PolarHBondContact O-N 3.32Å; A172-I175 PolarHBondContact O-N 2.96Å; A172-S176 WeakPolarHBondContact O-CB 3.47Å; A172-S176 PolarHBondContact O-N 3.16Å
173D94.1Very high93.8Very high74 Ų7458.8 Ų58.840%0.39630%0.303SS..Hα-helixtrans-63.3-36.7175.8-79-15.9000112.7M169 Y170 A177 N242M169-D173 PolarHBondContact O-N 3.11Å; Y170-D173 PolarHBondContact O-N 3.42Å; D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.42Å; D173-A177 PolarHBondContact O-N 3.35Å; D173-N242 PolarHBondContact O-ND2 3.11Å; D173-N242 VanDerWaalsContact O-ND2 3.14Å
174S95.3Very high93.3Very high10 Ų1057.1 Ų57.17%0.0729%0.293CS..Hα-helixtrans-66.1-48.2174.3179.30000111.7Y170 N171 A172 S176 A177 Q178 K243Y170-S174 WeakPolarHBondContact O-CB 3.31Å; Y170-S174 PolarHBondContact O-N 3.49Å; N171-S174 WeakPolarHBondContact O-CB 3.23Å; N171-S174 PolarHBondContact O-N 3.07Å; A172-S174 VanDerWaalsContact C-N 3.32Å; A172-S174 PolarHBondContact O-N 3.32Å; S174-S176 PolarHBondContact O-N 2.81Å; S174-A177 PolarHBondContact O-N 3.15Å; S174-Q178 WeakPolarHBondContact O-CB 3.27Å; S174-Q178 PolarHBondContact O-N 2.99Å; S174-K243 WeakPolarHBondContact OG-CA 3.28Å
175I93.4Very high92.8Very high75 Ų7559.8 Ų59.839%0.38531%0.305SS..Hα-helixtrans-61.6-43.8177.3-67.2165.5000110.7N171 A172 A177 Q178 S179N171-I175 VanDerWaalsContact O-CG1 3.3Å; N171-I175 WeakPolarHBondContact O-CG1 3.34Å; N171-I175 PolarHBondContact O-N 3.46Å; A172-I175 PolarHBondContact O-N 2.96Å; I175-A177 PolarHBondContact O-N 2.72Å; I175-Q178 WeakPolarHBondContact O-CB 3.26Å; I175-Q178 PolarHBondContact O-N 3.36Å; I175-S179 PolarHBondContact O-N 3.36Å; I175-S179 PolarHBondContact O-OG 3.47Å
176S93.1Very high92.4Very high51 Ų5161 Ų6136%0.35731%0.31SS..Hα-helixtrans-61.9-43.4176.3-173.30000112.1A172 S174 Q178 S179 K180A172-S176 WeakPolarHBondContact O-CB 3.47Å; A172-S176 PolarHBondContact O-N 3.16Å; S174-S176 PolarHBondContact O-N 2.81Å; S176-Q178 VanDerWaalsContact C-N 3.34Å; S176-S179 PolarHBondContact O-N 3.35Å; S176-K180 WeakPolarHBondContact O-CG 3.5Å; S176-K180 PolarHBondContact O-N 3.4Å; S176-K180 VanDerWaalsContact O-N 3.14Å; S176-K180 PolarHBondContact OG-NZ 3.13Å
177A92.3Very high91.8Very high9 Ų962.4 Ų62.47%0.07431%0.313CS..Hα-helixtrans-64.5-38.9176.200000111.9D173 S174 I175 K180 L181 N242D173-A177 VanDerWaalsContact O-CB 3.31Å; D173-A177 WeakPolarHBondContact O-CB 3.42Å; D173-A177 PolarHBondContact O-N 3.35Å; S174-A177 PolarHBondContact O-N 3.15Å; I175-A177 PolarHBondContact O-N 2.72Å; A177-K180 PolarHBondContact O-N 3.3Å; A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 PolarHBondContact O-N 2.91Å; A177-N242 HydrophobicContact CB-CB 4.47Å
178Q93.3Very high91Very high63 Ų6361.6 Ų61.629%0.29431%0.311SS..Hα-helixtrans-64.4-43.1176.2-165.2-178.217.200112.2S174 I175 S176 L181 K182 Y239S174-Q178 WeakPolarHBondContact O-CB 3.27Å; S174-Q178 PolarHBondContact O-N 2.99Å; I175-Q178 WeakPolarHBondContact O-CB 3.26Å; I175-Q178 PolarHBondContact O-N 3.36Å; S176-Q178 VanDerWaalsContact C-N 3.34Å; Q178-L181 WeakPolarHBondContact O-CB 3.43Å; Q178-L181 PolarHBondContact O-N 3.06Å; Q178-K182 WeakPolarHBondContact O-CG 3.21Å; Q178-K182 PolarHBondContact O-N 2.62Å; Q178-Y239 HydrophobicContact CB-CD2 3.69Å; Q178-Y239 HydrophobicContact CB-CE2 3.56Å; Q178-Y239 HydrophobicContact CG-CD2 4.15Å; Q178-Y239 HydrophobicContact CG-CE2 3.66Å
179S92.4Very high90.1Very high60 Ų6066.9 Ų66.942%0.4234%0.336SS..Hα-helixtrans-61-44.8175.9-65.90000111.4I175 S176 L181 K182 E183I175-S179 PolarHBondContact O-N 3.36Å; I175-S179 PolarHBondContact O-OG 3.47Å; S176-S179 PolarHBondContact O-N 3.35Å; S179-L181 VanDerWaalsContact C-N 3.32Å; S179-L181 PolarHBondContact O-N 3.4Å; S179-K182 PolarHBondContact O-N 3.47Å; S179-E183 WeakPolarHBondContact O-CG 3.04Å; S179-E183 PolarHBondContact O-N 3.17Å
180K92.1Very high89.2Confident106 Ų10669.6 Ų69.646%0.46135%0.345SS..Hα-helixtrans-63.1-37.5175.8-70.1168.3-176.21610112.1S176 A177 A184 R235S176-K180 WeakPolarHBondContact O-CG 3.5Å; S176-K180 PolarHBondContact O-N 3.4Å; S176-K180 VanDerWaalsContact O-N 3.14Å; S176-K180 PolarHBondContact OG-NZ 3.13Å; A177-K180 PolarHBondContact O-N 3.3Å; K180-A184 PolarHBondContact O-N 2.92Å; K180-A184 VanDerWaalsContact O-N 3.13Å; K180-R235 VanDerWaalsContact O-CD 3.28Å; K180-R235 WeakPolarHBondContact O-CD 3.42Å; K180-R235 PolarHBondContact O-NH1 3.5Å
181L90.5Very high87.9Confident6 Ų669.2 Ų69.23%0.03135%0.346CS..Hα-helixtrans-64.3-50.6174.6173.962.7000111A177 Q178 S179 E183 A184 E185 K232 R235 Q236 Y239A177-L181 WeakPolarHBondContact O-CB 3.43Å; A177-L181 PolarHBondContact O-N 2.91Å; Q178-L181 WeakPolarHBondContact O-CB 3.43Å; Q178-L181 PolarHBondContact O-N 3.06Å; S179-L181 VanDerWaalsContact C-N 3.32Å; S179-L181 PolarHBondContact O-N 3.4Å; L181-E183 VanDerWaalsContact C-N 3.26Å; L181-E183 PolarHBondContact O-N 3.19Å; L181-A184 CarbonylContact O-C 3.58Å; L181-A184 WeakPolarHBondContact O-CA 3.35Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 2.94Å; L181-E185 HydrophobicContact CD1-CG 4.32Å; L181-E185 WeakPolarHBondContact O-CG 3.33Å; L181-E185 PolarHBondContact O-N 2.83Å; L181-K232 HydrophobicContact CD1-CG 4.09Å; L181-R235 HydrophobicContact CB-CB 4.39Å; L181-R235 HydrophobicContact CD1-CB 4.19Å; L181-Q236 HydrophobicContact CD1-CB 4.05Å; L181-Y239 HydrophobicContact CD2-CD1 3.58Å; L181-Y239 HydrophobicContact CD2-CE1 4.24Å; L181-Y239 HydrophobicContact CD2-CG 4Å
182K90.7Very high86.4Confident109 Ų10970.7 Ų70.747%0.47435%0.353SS..Hα-helixtrans-58.2-36.4177.1-74.8-176.4178.8-177.90113Q178 S179 E185 K186Q178-K182 WeakPolarHBondContact O-CG 3.21Å; Q178-K182 PolarHBondContact O-N 2.62Å; S179-K182 PolarHBondContact O-N 3.47Å; K182-E185 WeakPolarHBondContact CA-OE2 3.47Å; K182-K186 WeakPolarHBondContact O-CB 3.27Å; K182-K186 WeakPolarHBondContact O-CG 3.44Å; K182-K186 PolarHBondContact O-N 2.94Å
183E89.1Confident84.7Confident109 Ų10969.7 Ų69.751%0.50935%0.348SS..Hα-helixtrans-66.2-39.9173.2-75.3172.9-17100112.5S179 L181 K186 Q187S179-E183 WeakPolarHBondContact O-CG 3.04Å; S179-E183 PolarHBondContact O-N 3.17Å; L181-E183 VanDerWaalsContact C-N 3.26Å; L181-E183 PolarHBondContact O-N 3.19Å; E183-K186 PolarHBondContact O-N 3.41Å; E183-Q187 VanDerWaalsContact O-CG 3.26Å; E183-Q187 WeakPolarHBondContact O-CG 3.24Å; E183-Q187 PolarHBondContact O-N 3.11Å
184A86Confident82.8Confident0 Ų074 Ų740%036%0.363CS..Hα-helixtrans-68.6-38.3175.900000112.1K180 L181 Q187 E188 K232K180-A184 PolarHBondContact O-N 2.92Å; K180-A184 VanDerWaalsContact O-N 3.13Å; L181-A184 CarbonylContact O-C 3.58Å; L181-A184 WeakPolarHBondContact O-CA 3.35Å; L181-A184 WeakPolarHBondContact O-CB 3.27Å; L181-A184 PolarHBondContact O-N 2.94Å; A184-Q187 PolarHBondContact O-N 3.46Å; A184-E188 WeakPolarHBondContact O-CB 3.47Å; A184-E188 PolarHBondContact O-N 2.79Å; A184-K232 HydrophobicContact CB-CB 4.31Å
185E85.2Confident80.7Confident59 Ų5976.6 Ų76.628%0.27638%0.381SS..Hα-helixtrans-60.2-47172.5-70.7171.2155.900111.1L181 K182 Q187 E188 E189 K232L181-E185 HydrophobicContact CD1-CG 4.32Å; L181-E185 WeakPolarHBondContact O-CG 3.33Å; L181-E185 PolarHBondContact O-N 2.83Å; K182-E185 WeakPolarHBondContact CA-OE2 3.47Å; E185-Q187 VanDerWaalsContact C-N 3.3Å; E185-Q187 PolarHBondContact O-N 3.17Å; E185-E188 WeakPolarHBondContact O-CB 3.36Å; E185-E188 PolarHBondContact O-N 3.24Å; E185-E189 WeakPolarHBondContact O-CG 3.36Å; E185-E189 PolarHBondContact O-N 2.88Å; E185-K232 HydrophobicContact CG-CD 4.13Å; E185-K232 HydrophobicContact CG-CG 4.45Å
186K86.3Confident78.7Confident139 Ų13977.4 Ų77.460%0.60439%0.389SS*.Hα-helixtrans-63.6-32.2174.6-74-179.6-178.6-174.80113.4K182 E183 K190K182-K186 WeakPolarHBondContact O-CB 3.27Å; K182-K186 WeakPolarHBondContact O-CG 3.44Å; K182-K186 PolarHBondContact O-N 2.94Å; E183-K186 PolarHBondContact O-N 3.41Å; K186-K190 WeakPolarHBondContact O-CB 3.5Å; K186-K190 VanDerWaalsContact O-CG 3.29Å; K186-K190 WeakPolarHBondContact O-CG 3.38Å; K186-K190 PolarHBondContact O-N 3.38Å; K186-K190 VanDerWaalsContact O-N 3.14Å
187Q81.7Confident76.7Confident87 Ų8783.7 Ų83.741%0.40741%0.411SS..Hα-helixtrans-72-41.9176-76.4174.49.500111.3E183 A184 E185 K190 Q191E183-Q187 VanDerWaalsContact O-CG 3.26Å; E183-Q187 WeakPolarHBondContact O-CG 3.24Å; E183-Q187 PolarHBondContact O-N 3.11Å; A184-Q187 PolarHBondContact O-N 3.46Å; E185-Q187 VanDerWaalsContact C-N 3.3Å; E185-Q187 PolarHBondContact O-N 3.17Å; Q187-K190 PolarHBondContact O-N 2.87Å; Q187-Q191 PolarHBondContact O-N 3.35Å; Q187-Q191 PolarHBondContact O-OE1 2.96Å
188E79.6Confident74.5Confident28 Ų2889.4 Ų89.413%0.13144%0.435CS..Hα-helixtrans-59.8-49.8173.7-175.1-174.9-134.600111.2A184 E185 K190 Q191 I192 I228 K232A184-E188 WeakPolarHBondContact O-CB 3.47Å; A184-E188 PolarHBondContact O-N 2.79Å; E185-E188 WeakPolarHBondContact O-CB 3.36Å; E185-E188 PolarHBondContact O-N 3.24Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 3.45Å; E188-Q191 PolarHBondContact O-N 3.31Å; E188-Q191 VanDerWaalsContact O-N 3.14Å; E188-I192 HydrophobicContact CG-CD1 3.67Å; E188-I192 HydrophobicContact CG-CG1 4.48Å; E188-I192 WeakPolarHBondContact O-CB 3.05Å; E188-I192 VanDerWaalsContact O-CG1 3.3Å; E188-I192 WeakPolarHBondContact O-CG1 3.49Å; E188-I192 PolarHBondContact O-N 2.89Å; E188-I228 HydrophobicContact CB-CG2 4.02Å; E188-K232 IonicContact OE1-NZ 3.45Å; E188-K232 WeakPolarHBondContact OE2-CD 3.37Å; E188-K232 WeakPolarHBondContact OE2-CE 3.36Å; E188-K232 IonicContact OE2-NZ 2.6Å; E188-K232 PolarHBondContact OE2-NZ 2.89Å
189E77.9Confident72.4Confident133 Ų13394 Ų9462%0.62146%0.457SS*.Hα-helixtrans-58.4-39175.2-73.1175179.400112.4E185 G193E185-E189 WeakPolarHBondContact O-CG 3.36Å; E185-E189 PolarHBondContact O-N 2.88Å; E189-G193 PolarHBondContact O-N 3.2Å
190K75.8Confident70.1Confident153 Ų15398.3 Ų98.367%0.66548%0.475SS*.Hα-helixtrans-68.4-35175.9-81.3178.2179.9-178.70113.2K186 Q187 E188 K194K186-K190 WeakPolarHBondContact O-CB 3.5Å; K186-K190 VanDerWaalsContact O-CG 3.29Å; K186-K190 WeakPolarHBondContact O-CG 3.38Å; K186-K190 PolarHBondContact O-N 3.38Å; K186-K190 VanDerWaalsContact O-N 3.14Å; Q187-K190 PolarHBondContact O-N 2.87Å; E188-K190 VanDerWaalsContact C-N 3.3Å; E188-K190 PolarHBondContact O-N 3.45Å; K190-K194 WeakPolarHBondContact O-CB 3.43Å; K190-K194 VanDerWaalsContact O-CG 3.32Å; K190-K194 WeakPolarHBondContact O-CG 3.35Å; K190-K194 PolarHBondContact O-N 2.88Å
191Q67.3Low68.1Low74 Ų74104 Ų10435%0.34649%0.494SS..Hα-helixtrans-78.1-36.4177.8-113.7115.90.700112.4Q187 E188 S195 I228Q187-Q191 PolarHBondContact O-N 3.35Å; Q187-Q191 PolarHBondContact O-OE1 2.96Å; E188-Q191 PolarHBondContact O-N 3.31Å; E188-Q191 VanDerWaalsContact O-N 3.14Å; Q191-S195 PolarHBondContact O-N 3.09Å; Q191-S195 PolarHBondContact O-OG 3.22Å; Q191-I228 HydrophobicContact CG-CD1 4.03Å
192I64.3Low65.8Low83 Ų83111.1 Ų111.143%0.42653%0.527SS..Hα-helixtrans-71.6-45.4175.5-63.8171.4000109.9E188 K194 S195 V196E188-I192 HydrophobicContact CG-CD1 3.67Å; E188-I192 HydrophobicContact CG-CG1 4.48Å; E188-I192 WeakPolarHBondContact O-CB 3.05Å; E188-I192 VanDerWaalsContact O-CG1 3.3Å; E188-I192 WeakPolarHBondContact O-CG1 3.49Å; E188-I192 PolarHBondContact O-N 2.89Å; I192-K194 VanDerWaalsContact C-N 3.31Å; I192-K194 PolarHBondContact O-N 3.32Å; I192-S195 WeakPolarHBondContact O-CB 3.44Å; I192-S195 PolarHBondContact O-N 3.24Å; I192-V196 PolarHBondContact O-N 3.46Å
193G58.2Low63.9Low35 Ų35112.5 Ų112.536%0.36155%0.545SS..Hα-helixtrans-65-26.5177.500000114.9E189 K197E189-G193 PolarHBondContact O-N 3.2Å; G193-K197 PolarHBondContact O-N 3.36Å
194K55Low61.8Low166 Ų166113.1 Ų113.172%0.72256%0.558SS**Hα-helixtrans-73.1-26169.7-82.3-178.9179.9-174.60113.3K190 I192K190-K194 WeakPolarHBondContact O-CB 3.43Å; K190-K194 VanDerWaalsContact O-CG 3.32Å; K190-K194 WeakPolarHBondContact O-CG 3.35Å; K190-K194 PolarHBondContact O-N 2.88Å; I192-K194 VanDerWaalsContact C-N 3.31Å; I192-K194 PolarHBondContact O-N 3.32Å
195S51.2Low59.6Low64 Ų64124.9 Ų124.945%0.44860%0.603SS.*Hα-helixtrans-75.9-32.8176.8-60.70000111.8Q191 I192Q191-S195 PolarHBondContact O-N 3.09Å; Q191-S195 PolarHBondContact O-OG 3.22Å; I192-S195 WeakPolarHBondContact O-CB 3.44Å; I192-S195 PolarHBondContact O-N 3.24Å
196V51.1Low57.6Low91 Ų91127.4 Ų127.455%0.55263%0.627SS**Hα-helixtrans-75.3-38.1179.4-179.40000112.5I192 Q198 E199I192-V196 PolarHBondContact O-N 3.46Å; V196-Q198 PolarHBondContact O-N 3Å; V196-Q198 VanDerWaalsContact O-N 3.17Å; V196-E199 PolarHBondContact O-N 2.91Å
197K49.9Very low56.4Low184 Ų184126 Ų12680%0.863%0.632SS**THydrogen-bonded Turntrans-70.3-8.8-178.6-76-171.6177.1-174.20115.6G193G193-K197 PolarHBondContact O-N 3.36Å
198Q47.1Very low54.2Low128 Ų128129.4 Ų129.460%0.59865%0.653SS**THydrogen-bonded Turntrans-98.2-10.7178.5-148.7171.730.600113.1V196V196-Q198 PolarHBondContact O-N 3Å; V196-Q198 VanDerWaalsContact O-N 3.17Å
199E48.6Very low52.3Low161 Ų161133.3 Ų133.375%0.75268%0.683SS**THydrogen-bonded Turntrans-81-17.7174.6-78.4-173.3153.400113.4V196 R201V196-E199 PolarHBondContact O-N 2.91Å; E199-R201 PolarHBondContact O-N 3.17Å
200D45.1Very low50.6Low150 Ų150133.2 Ų133.280%0.80269%0.692SS**THydrogen-bonded Turntrans-878.9-177.9-91.6-22.3000116
201R50.1Low49.3Very low225 Ų225130.3 Ų130.385%0.84970%0.697SS**  trans-125.873.3173.9-95-171174.4-177.3-0.8112E199E199-R201 PolarHBondContact O-N 3.17Å
202Q42.8Very low48.4Very low156 Ų156133.8 Ų133.873%0.72972%0.718SS**  trans-160.7101.4150.5-110.8151.254.700110.6
203T49.5Very low47.8Very low137 Ų137136.1 Ų136.184%0.8474%0.735SS**  trans-68.9154.8165.134.40000111.1
204P45.2Very low47.5Very low123 Ų123143 Ų14380%0.79975%0.751SS**  trans-87.8120.2-172.332.4-29.5000111.5
205R40.1Very low47.4Very low246 Ų246141 Ų14193%0.92875%0.746SS**  trans-145.1139.4146-76.9-163.1175.2161.1-1.9110
206S42.5Very low47.3Very low112 Ų112145.8 Ų145.878%0.78376%0.762SS**  trans-68.2-176.5-174.444.40000114.6
207P60.5Low47.2Very low109 Ų109147.2 Ų147.271%0.70876%0.762SS**  -123.1173.2-64.135.7-20000111.9
208D36.6Very low47.2Very low159 Ų159146.2 Ų146.285%0.8576%0.758SS**  trans91.3126.8161.8-68.9-19.1000122.1
209S40.6Very low47.5Very low110 Ų110146.9 Ų146.977%0.76976%0.761SS**  trans94.8137151.6-141.60000119.1
210T41.6Very low47.7Very low131 Ų131144 Ų14480%0.80475%0.754SS**  trans89.861170.671.90000119.1N212T210-N212 PolarHBondContact O-N 2.69Å
211A47.8Very low48.2Very low93 Ų93142 Ų14277%0.76974%0.735SS**THydrogen-bonded Turntrans-83.786.4156.600000109.8
212N48.5Very low48.6Very low147 Ų147140.2 Ų140.279%0.78673%0.728SS**THydrogen-bonded Turntrans-1601.9157.8-95.6-21.9000116T210T210-N212 PolarHBondContact O-N 2.69Å
213V51.1Low49.5Very low131 Ų131136.1 Ų136.179%0.79472%0.717SS**SBendtrans-106.4-12.7175.4-176.20000113
214R51.8Low50.3Low181 Ų181131.6 Ų131.668%0.68369%0.691SS**Hα-helixtrans-84.2-9.6-174.6-99.5177.6172.7-177.6-4.1116.1
215I53.5Low51.5Low122 Ų122127.7 Ų127.763%0.62667%0.665SS**Hα-helixtrans-88.2-35.8-171.2-64174.6000112.3H219I215-H219 PolarHBondContact O-N 3.17Å
216E48.9Very low53.3Low166 Ų166122.5 Ų122.578%0.77665%0.649SS**Hα-helixtrans-69.6-41.6-179.2-75.3-173.2150.200113K218 H219 V220E216-K218 PolarHBondContact O-N 3.37Å; E216-H219 PolarHBondContact O-N 2.91Å; E216-V220 WeakPolarHBondContact O-CG2 3.36Å; E216-V220 PolarHBondContact O-N 3.24Å; E216-V220 VanDerWaalsContact O-N 3.14Å
217E48.5Very low55Low121 Ų121124.6 Ų124.657%0.56564%0.644SS**Hα-helixtrans-66.6-34.2178.8-105.2-159.9124.200113.3R221E217-R221 WeakPolarHBondContact O-CG 3.48Å; E217-R221 PolarHBondContact O-N 2.78Å; E217-R221 IonicContact OE1-CZ 3.74Å; E217-R221 IonicContact OE1-NH2 2.81Å; E217-R221 PolarHBondContact OE1-NH2 2.96Å; E217-R221 IonicContact OE2-NH2 4Å
218K50.8Low55.8Low163 Ų163120.3 Ų120.371%0.70962%0.615SS**Hα-helixtrans-70-35.3177.3-112.2-179.6176.5-178.30111.9E216 R222E216-K218 PolarHBondContact O-N 3.37Å; K218-R222 PolarHBondContact O-N 2.95Å
219H54.1Low58Low142 Ų142117.7 Ų117.766%0.65760%0.597SS**Hα-helixtrans-74.7-39180-146.4-89.9000112.2I215 E216 S223I215-H219 PolarHBondContact O-N 3.17Å; E216-H219 PolarHBondContact O-N 2.91Å; H219-S223 PolarHBondContact O-N 3.4Å; H219-S223 VanDerWaalsContact O-N 3.16Å
220V53.1Low60.1Low99 Ų99119.8 Ų119.860%0.659%0.592SS**Hα-helixtrans-64.1-42.4174.8175.20000111.2E216 S223 S224E216-V220 WeakPolarHBondContact O-CG2 3.36Å; E216-V220 PolarHBondContact O-N 3.24Å; E216-V220 VanDerWaalsContact O-N 3.14Å; V220-S223 PolarHBondContact O-N 3.49Å; V220-S223 PolarHBondContact O-OG 3.47Å; V220-S224 PolarHBondContact O-N 3.29Å
221R54.3Low62.1Low108 Ų108117 Ų11741%0.40857%0.571SS.*Hα-helixtrans-66.3-41.7178.2-71.1177.7-168.2-177.27.5112.9E217 S223 S224 V225E217-R221 WeakPolarHBondContact O-CG 3.48Å; E217-R221 PolarHBondContact O-N 2.78Å; E217-R221 IonicContact OE1-CZ 3.74Å; E217-R221 IonicContact OE1-NH2 2.81Å; E217-R221 PolarHBondContact OE1-NH2 2.96Å; E217-R221 IonicContact OE2-NH2 4Å; R221-S223 VanDerWaalsContact C-N 3.29Å; R221-S223 PolarHBondContact O-N 2.92Å; R221-S224 PolarHBondContact O-N 2.9Å; R221-S224 PolarHBondContact O-OG 2.77Å; R221-V225 PolarHBondContact O-N 3.48Å
222R59.3Low64Low189 Ų189115.2 Ų115.271%0.71355%0.546SS*.Hα-helixtrans-64.4-30.2175.7-152.5177-168.1-176.64.1113K218 K226K218-R222 PolarHBondContact O-N 2.95Å; R222-K226 PolarHBondContact O-N 3.21Å
223S62.2Low66Low70 Ų70114.7 Ų114.749%0.4954%0.539SS..Hα-helixtrans-72-35.9174.981.10000113.1H219 V220 R221 K227H219-S223 PolarHBondContact O-N 3.4Å; H219-S223 VanDerWaalsContact O-N 3.16Å; V220-S223 PolarHBondContact O-N 3.49Å; V220-S223 PolarHBondContact O-OG 3.47Å; R221-S223 VanDerWaalsContact C-N 3.29Å; R221-S223 PolarHBondContact O-N 2.92Å; S223-K227 PolarHBondContact O-N 3.17Å; S223-K227 VanDerWaalsContact O-N 3.16Å
224S65.1Low67.9Low41 Ų41116.4 Ų116.429%0.28754%0.536SS..Hα-helixtrans-70-41.2179.572.80000112.5V220 R221 K227 I228V220-S224 PolarHBondContact O-N 3.29Å; R221-S224 PolarHBondContact O-N 2.9Å; R221-S224 PolarHBondContact O-OG 2.77Å; S224-K227 WeakPolarHBondContact O-CB 3.42Å; S224-K227 PolarHBondContact O-N 3.37Å; S224-I228 WeakPolarHBondContact O-CD1 3.44Å; S224-I228 PolarHBondContact O-N 3.17Å; S224-I228 VanDerWaalsContact O-N 3.12Å
225V71.3Confident69.7Low42 Ų42111 Ų11126%0.25552%0.516SS..Hα-helixtrans-62.1-48.1176176.60000111.1R221 K227 I228 E229R221-V225 PolarHBondContact O-N 3.48Å; V225-K227 VanDerWaalsContact C-N 3.26Å; V225-K227 PolarHBondContact O-N 3.44Å; V225-I228 PolarHBondContact O-N 2.99Å; V225-I228 VanDerWaalsContact O-N 3.13Å; V225-E229 WeakPolarHBondContact O-CB 3.47Å; V225-E229 PolarHBondContact O-N 3.24Å
226K77.1Confident71.5Confident137 Ų137108.6 Ų108.660%0.59650%0.502SS*.Hα-helixtrans-59.4-33.3174.7-76.5-173.8174.4-172.90113.4R222 K230R222-K226 PolarHBondContact O-N 3.21Å; K226-K230 WeakPolarHBondContact O-CB 3.43Å; K226-K230 PolarHBondContact O-N 2.89Å
227K79.1Confident73.6Confident155 Ų155103.7 Ų103.767%0.67449%0.489SS*.Hα-helixtrans-69.7-36.5177.5-171.5176.6-178.81780111.9S223 S224 V225 M231S223-K227 PolarHBondContact O-N 3.17Å; S223-K227 VanDerWaalsContact O-N 3.16Å; S224-K227 WeakPolarHBondContact O-CB 3.42Å; S224-K227 PolarHBondContact O-N 3.37Å; V225-K227 VanDerWaalsContact C-N 3.26Å; V225-K227 PolarHBondContact O-N 3.44Å; K227-M231 WeakPolarHBondContact O-CB 3.48Å; K227-M231 PolarHBondContact O-N 3.47Å; K227-M231 VanDerWaalsContact O-N 3.08Å
228I77.6Confident75.7Confident19 Ų19104 Ų10410%0.09749%0.489CS..Hα-helixtrans-77.2-38.6178.5-70.6151.3000111.1E188 Q191 S224 V225 M231 K232E188-I228 HydrophobicContact CB-CG2 4.02Å; Q191-I228 HydrophobicContact CG-CD1 4.03Å; S224-I228 WeakPolarHBondContact O-CD1 3.44Å; S224-I228 PolarHBondContact O-N 3.17Å; S224-I228 VanDerWaalsContact O-N 3.12Å; V225-I228 PolarHBondContact O-N 2.99Å; V225-I228 VanDerWaalsContact O-N 3.13Å; I228-M231 CarbonylContact O-C 3.6Å; I228-M231 WeakPolarHBondContact O-CB 3.41Å; I228-M231 PolarHBondContact O-N 3.22Å; I228-M231 VanDerWaalsContact O-N 3.14Å; I228-K232 PolarHBondContact O-N 3.47Å
229E81.1Confident77.8Confident104 Ų10497.5 Ų97.549%0.48646%0.46SS..Hα-helixtrans-59-49172.1-171176-165.100111V225 M231 K232 E233V225-E229 WeakPolarHBondContact O-CB 3.47Å; V225-E229 PolarHBondContact O-N 3.24Å; E229-M231 VanDerWaalsContact C-N 3.28Å; E229-M231 PolarHBondContact O-N 2.84Å; E229-K232 WeakPolarHBondContact O-CB 3.49Å; E229-K232 PolarHBondContact O-N 2.99Å; E229-E233 WeakPolarHBondContact O-CB 3.19Å; E229-E233 PolarHBondContact O-N 3.25Å
230K84.7Confident79.7Confident154 Ų15494.4 Ų94.467%0.6745%0.451SS*.Hα-helixtrans-62.8-32.7173.8-168.3173.9-174.4173.70113K226 K234K226-K230 WeakPolarHBondContact O-CB 3.43Å; K226-K230 PolarHBondContact O-N 2.89Å; K230-K234 WeakPolarHBondContact O-CB 3.49Å; K230-K234 PolarHBondContact O-N 2.7Å; K230-K234 VanDerWaalsContact O-N 3.09Å
231M85Confident81.6Confident72 Ų7294.4 Ų94.436%0.35545%0.445SS..Hα-helixtrans-69.2-42.9174.8-173-172.1-57.700111.5K227 I228 E229 K234 R235K227-M231 WeakPolarHBondContact O-CB 3.48Å; K227-M231 PolarHBondContact O-N 3.47Å; K227-M231 VanDerWaalsContact O-N 3.08Å; I228-M231 CarbonylContact O-C 3.6Å; I228-M231 WeakPolarHBondContact O-CB 3.41Å; I228-M231 PolarHBondContact O-N 3.22Å; I228-M231 VanDerWaalsContact O-N 3.14Å; E229-M231 VanDerWaalsContact C-N 3.28Å; E229-M231 PolarHBondContact O-N 2.84Å; M231-K234 PolarHBondContact O-N 3Å; M231-R235 WeakPolarHBondContact O-CG 3.25Å; M231-R235 PolarHBondContact O-N 3.43Å; M231-R235 PolarHBondContact SD-NH2 2.89Å
232K87.8Confident83.6Confident57 Ų5790.3 Ų90.325%0.24843%0.431CS..Hα-helixtrans-62.1-47.8174.1173.6-175.4166.5-172.20110.7L181 A184 E185 E188 I228 E229 K234 R235 Q236L181-K232 HydrophobicContact CD1-CG 4.09Å; A184-K232 HydrophobicContact CB-CB 4.31Å; E185-K232 HydrophobicContact CG-CD 4.13Å; E185-K232 HydrophobicContact CG-CG 4.45Å; E188-K232 IonicContact OE1-NZ 3.45Å; E188-K232 WeakPolarHBondContact OE2-CD 3.37Å; E188-K232 WeakPolarHBondContact OE2-CE 3.36Å; E188-K232 IonicContact OE2-NZ 2.6Å; E188-K232 PolarHBondContact OE2-NZ 2.89Å; I228-K232 PolarHBondContact O-N 3.47Å; E229-K232 WeakPolarHBondContact O-CB 3.49Å; E229-K232 PolarHBondContact O-N 2.99Å; K232-K234 VanDerWaalsContact C-N 3.31Å; K232-K234 PolarHBondContact O-N 3.27Å; K232-R235 CarbonylContact O-C 3.58Å; K232-R235 WeakPolarHBondContact O-CA 3.47Å; K232-R235 PolarHBondContact O-N 3.48Å; K232-Q236 WeakPolarHBondContact O-CB 3.38Å; K232-Q236 PolarHBondContact O-N 3.37Å
233E89.7Confident85.3Confident135 Ų13585.7 Ų85.763%0.63142%0.416SS*.Hα-helixtrans-57.2-43.9177.8-169.3-176-17100111.6E229 R235 Q236 A237E229-E233 WeakPolarHBondContact O-CB 3.19Å; E229-E233 PolarHBondContact O-N 3.25Å; E233-R235 PolarHBondContact O-N 3.11Å; E233-Q236 WeakPolarHBondContact O-CB 3.31Å; E233-Q236 PolarHBondContact O-N 3.18Å; E233-A237 PolarHBondContact O-N 3.5Å
234K90.4Very high86.9Confident168 Ų16886.8 Ų86.873%0.7342%0.416SS*.Hα-helixtrans-62.9-39174-172175.7-178176.50112.7K230 M231 K232 K238K230-K234 WeakPolarHBondContact O-CB 3.49Å; K230-K234 PolarHBondContact O-N 2.7Å; K230-K234 VanDerWaalsContact O-N 3.09Å; M231-K234 PolarHBondContact O-N 3Å; K232-K234 VanDerWaalsContact C-N 3.31Å; K232-K234 PolarHBondContact O-N 3.27Å; K234-K238 WeakPolarHBondContact O-CB 3.42Å; K234-K238 PolarHBondContact O-N 3.4Å
235R90.8Very high88.4Confident68 Ų6888.8 Ų88.826%0.25742%0.419SS..Hα-helixtrans-71.2-33.8175.8-71.4-179.1-174-170.54.9111.8K180 L181 M231 K232 E233 K238 Y239K180-R235 VanDerWaalsContact O-CD 3.28Å; K180-R235 WeakPolarHBondContact O-CD 3.42Å; K180-R235 PolarHBondContact O-NH1 3.5Å; L181-R235 HydrophobicContact CB-CB 4.39Å; L181-R235 HydrophobicContact CD1-CB 4.19Å; M231-R235 WeakPolarHBondContact O-CG 3.25Å; M231-R235 PolarHBondContact O-N 3.43Å; M231-R235 PolarHBondContact SD-NH2 2.89Å; K232-R235 CarbonylContact O-C 3.58Å; K232-R235 WeakPolarHBondContact O-CA 3.47Å; K232-R235 PolarHBondContact O-N 3.48Å; E233-R235 PolarHBondContact O-N 3.11Å; R235-K238 PolarHBondContact O-N 3Å; R235-Y239 WeakPolarHBondContact O-CB 3.4Å; R235-Y239 PolarHBondContact O-N 3.01Å
236Q91.7Very high89.5Confident71 Ų7187 Ų8733%0.33241%0.41SS..Hα-helixtrans-64.9-49.2175.1-178.465.750.400110.4L181 K232 E233 K238 Y239 T240L181-Q236 HydrophobicContact CD1-CB 4.05Å; K232-Q236 WeakPolarHBondContact O-CB 3.38Å; K232-Q236 PolarHBondContact O-N 3.37Å; E233-Q236 WeakPolarHBondContact O-CB 3.31Å; E233-Q236 PolarHBondContact O-N 3.18Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 3.08Å; Q236-Y239 PolarHBondContact O-N 3.39Å; Q236-T240 PolarHBondContact O-N 3.37Å; Q236-T240 PolarHBondContact O-OG1 2.81Å; Q236-T240 VanDerWaalsContact O-OG1 3.06Å
237A92.2Very high90.4Very high63 Ų6383.5 Ų83.552%0.52140%0.397SS..Hα-helixtrans-58.5-45.6176.100000111.8E233 T240 E241E233-A237 PolarHBondContact O-N 3.5Å; A237-T240 PolarHBondContact O-N 3.23Å; A237-E241 PolarHBondContact O-N 3.31Å
238K92.6Very high91.3Very high126 Ų12682.3 Ų82.355%0.54839%0.391SS..Hα-helixtrans-65.5-38.4178.2-167.7170.6-170.8174.50113K234 R235 Q236 N242K234-K238 WeakPolarHBondContact O-CB 3.42Å; K234-K238 PolarHBondContact O-N 3.4Å; R235-K238 PolarHBondContact O-N 3Å; Q236-K238 VanDerWaalsContact C-N 3.35Å; Q236-K238 PolarHBondContact O-N 3.08Å; K238-N242 WeakPolarHBondContact O-CB 3.28Å; K238-N242 PolarHBondContact O-N 3.2Å
239Y93.9Very high92.2Very high27 Ų2781.9 Ų81.911%0.10639%0.39CS..Hα-helixtrans-65.7-45.6173.3164.8-113.1000111.3Q178 L181 R235 Q236 E241 N242 K243Q178-Y239 HydrophobicContact CB-CD2 3.69Å; Q178-Y239 HydrophobicContact CB-CE2 3.56Å; Q178-Y239 HydrophobicContact CG-CD2 4.15Å; Q178-Y239 HydrophobicContact CG-CE2 3.66Å; L181-Y239 HydrophobicContact CD2-CD1 3.58Å; L181-Y239 HydrophobicContact CD2-CE1 4.24Å; L181-Y239 HydrophobicContact CD2-CG 4Å; R235-Y239 WeakPolarHBondContact O-CB 3.4Å; R235-Y239 PolarHBondContact O-N 3.01Å; Q236-Y239 PolarHBondContact O-N 3.39Å; Y239-E241 VanDerWaalsContact C-N 3.32Å; Y239-E241 PolarHBondContact O-N 2.88Å; Y239-N242 PolarHBondContact O-N 3.34Å; Y239-K243 HydrophobicContact CD2-CB 4.46Å; Y239-K243 HydrophobicContact CE1-CD 4.21Å; Y239-K243 HydrophobicContact CE2-CB 4.2Å; Y239-K243 HydrophobicContact CE2-CD 4.07Å; Y239-K243 HydrophobicContact CE2-CG 4.49Å; Y239-K243 WeakPolarHBondContact O-CB 3.25Å; Y239-K243 PolarHBondContact O-N 3.18Å; Y239-K243 PolarHBondContact OH-NZ 3.14Å; Y239-K243 VanDerWaalsContact OH-NZ 3.16Å
240T94.3Very high93Very high77 Ų7782.3 Ų82.347%0.47239%0.388SS..Hα-helixtrans-58.8-43.4176.8-60.10000111.5Q236 A237 L244Q236-T240 PolarHBondContact O-N 3.37Å; Q236-T240 PolarHBondContact O-OG1 2.81Å; Q236-T240 VanDerWaalsContact O-OG1 3.06Å; A237-T240 PolarHBondContact O-N 3.23Å; T240-L244 WeakPolarHBondContact O-CB 3.38Å; T240-L244 PolarHBondContact O-N 2.84Å
241E94.7Very high93.6Very high100 Ų10078.7 Ų78.747%0.46738%0.376SS..Hα-helixtrans-62.6-52176-171.8-166.6166.300112.1A237 Y239 K243 L244 K245A237-E241 PolarHBondContact O-N 3.31Å; Y239-E241 VanDerWaalsContact C-N 3.32Å; Y239-E241 PolarHBondContact O-N 2.88Å; E241-K243 VanDerWaalsContact C-N 3.31Å; E241-K243 PolarHBondContact O-N 3Å; E241-L244 PolarHBondContact O-N 3.22Å; E241-K245 PolarHBondContact O-N 3.45Å; E241-K245 WeakPolarHBondContact OE1-CE 3.47Å; E241-K245 IonicContact OE1-NZ 3.28Å; E241-K245 PolarHBondContact OE1-NZ 3.41Å
242N94.9Very high94.1Very high22 Ų2280.9 Ų80.912%0.11839%0.385CS..Hα-helixtrans-64.6-37-180-77.86.5000111.9D173 A177 K238 Y239 K245 A246D173-N242 PolarHBondContact O-ND2 3.11Å; D173-N242 VanDerWaalsContact O-ND2 3.14Å; A177-N242 HydrophobicContact CB-CB 4.47Å; K238-N242 WeakPolarHBondContact O-CB 3.28Å; K238-N242 PolarHBondContact O-N 3.2Å; Y239-N242 PolarHBondContact O-N 3.34Å; N242-K245 PolarHBondContact O-N 3.5Å; N242-A246 WeakPolarHBondContact O-CB 3.47Å; N242-A246 PolarHBondContact O-N 3.46Å
243K94.9Very high94.6Very high91 Ų9180.4 Ų80.440%0.39638%0.382SS..Hα-helixtrans-64-41.8175.4-173178.5-171171.80111.1S174 Y239 E241 A246 I247S174-K243 WeakPolarHBondContact OG-CA 3.28Å; Y239-K243 HydrophobicContact CD2-CB 4.46Å; Y239-K243 HydrophobicContact CE1-CD 4.21Å; Y239-K243 HydrophobicContact CE2-CB 4.2Å; Y239-K243 HydrophobicContact CE2-CD 4.07Å; Y239-K243 HydrophobicContact CE2-CG 4.49Å; Y239-K243 WeakPolarHBondContact O-CB 3.25Å; Y239-K243 PolarHBondContact O-N 3.18Å; Y239-K243 PolarHBondContact OH-NZ 3.14Å; Y239-K243 VanDerWaalsContact OH-NZ 3.16Å; E241-K243 VanDerWaalsContact C-N 3.31Å; E241-K243 PolarHBondContact O-N 3Å; K243-A246 PolarHBondContact O-N 3.21Å; K243-I247 HydrophobicContact CG-CD1 4.07Å; K243-I247 VanDerWaalsContact O-CG1 3.27Å; K243-I247 WeakPolarHBondContact O-CG1 3.49Å; K243-I247 PolarHBondContact O-N 3.41Å
244L95.7Very high95Very high94 Ų9478.4 Ų78.449%0.49238%0.375SS..Hα-helixtrans-65.2-42.4175.8-175.761.9000111.7T240 E241 I247 K248T240-L244 WeakPolarHBondContact O-CB 3.38Å; T240-L244 PolarHBondContact O-N 2.84Å; E241-L244 PolarHBondContact O-N 3.22Å; L244-I247 PolarHBondContact O-N 3.3Å; L244-K248 WeakPolarHBondContact O-CG 3.31Å; L244-K248 PolarHBondContact O-N 3.22Å
245K96.3Very high95.3Very high82 Ų8275.9 Ų75.936%0.35737%0.369SS..Hα-helixtrans-60.8-43.4174.1-71.6178.4-174.7167.90112Y170 E241 N242 K248 A249Y170-K245 HydrophobicContact CD2-CB 4.46Å; Y170-K245 HydrophobicContact CG-CB 4.27Å; E241-K245 PolarHBondContact O-N 3.45Å; E241-K245 WeakPolarHBondContact OE1-CE 3.47Å; E241-K245 IonicContact OE1-NZ 3.28Å; E241-K245 PolarHBondContact OE1-NZ 3.41Å; N242-K245 PolarHBondContact O-N 3.5Å; K245-K248 PolarHBondContact O-N 2.92Å; K245-A249 WeakPolarHBondContact O-CB 3.29Å; K245-A249 PolarHBondContact O-N 3.48Å
246A95.6Very high95.6Very high6 Ų673.9 Ų73.95%0.0537%0.367CS..Hα-helixtrans-63.5-41.317600000112.4N242 K243 R250N242-A246 WeakPolarHBondContact O-CB 3.47Å; N242-A246 PolarHBondContact O-N 3.46Å; K243-A246 PolarHBondContact O-N 3.21Å; A246-R250 VanDerWaalsContact O-CB 3.3Å; A246-R250 WeakPolarHBondContact O-CB 3.38Å; A246-R250 PolarHBondContact O-N 2.98Å
247I96.1Very high95.9Very high63 Ų6372.7 Ų72.732%0.32336%0.363SS..Hα-helixtrans-63.4-46.8175.7-71.1165.2000110.7K243 L244 R250 N251K243-I247 HydrophobicContact CG-CD1 4.07Å; K243-I247 VanDerWaalsContact O-CG1 3.27Å; K243-I247 WeakPolarHBondContact O-CG1 3.49Å; K243-I247 PolarHBondContact O-N 3.41Å; L244-I247 PolarHBondContact O-N 3.3Å; I247-R250 PolarHBondContact O-N 2.8Å; I247-N251 PolarHBondContact O-N 2.98Å; I247-N251 PolarHBondContact O-OD1 3.26Å
248K96.8Very high96.1Very high129 Ų12976 Ų7656%0.56137%0.368SS*.Hα-helixtrans-59.1-50.2177.4-72.8180178.1-171.50111.4L244 K245 R250 N251 E252L244-K248 WeakPolarHBondContact O-CG 3.31Å; L244-K248 PolarHBondContact O-N 3.22Å; K245-K248 PolarHBondContact O-N 2.92Å; K248-R250 VanDerWaalsContact C-N 3.29Å; K248-R250 PolarHBondContact O-N 3.11Å; K248-N251 PolarHBondContact O-N 2.9Å; K248-N251 VanDerWaalsContact O-N 3.12Å; K248-E252 WeakPolarHBondContact O-CG 3.36Å; K248-E252 PolarHBondContact O-N 3.2Å
249A96.6Very high96.3Very high10 Ų1072.5 Ų72.58%0.08336%0.362CS..Hα-helixtrans-65-31.6178.800000113.4Y170 K245 Y253Y170-A249 HydrophobicContact CD2-CB 3.73Å; Y170-A249 HydrophobicContact CE2-CB 4.46Å; K245-A249 WeakPolarHBondContact O-CB 3.29Å; K245-A249 PolarHBondContact O-N 3.48Å; A249-Y253 WeakPolarHBondContact O-CB 3.32Å; A249-Y253 PolarHBondContact O-N 3.45Å
250R97.4Very high96.5Very high114 Ų11471.6 Ų71.643%0.4336%0.359SS..Hα-helixtrans-66.7-41.6171.8-170.7-178.162.5175.20.9111.8Y167 A246 I247 K248 Y253 L254Y167-R250 HydrophobicContact CD2-CB 3.66Å; Y167-R250 HydrophobicContact CD2-CG 4.22Å; Y167-R250 HydrophobicContact CE2-CB 3.56Å; Y167-R250 HydrophobicContact CE2-CG 3.78Å; A246-R250 VanDerWaalsContact O-CB 3.3Å; A246-R250 WeakPolarHBondContact O-CB 3.38Å; A246-R250 PolarHBondContact O-N 2.98Å; I247-R250 PolarHBondContact O-N 2.8Å; K248-R250 VanDerWaalsContact C-N 3.29Å; K248-R250 PolarHBondContact O-N 3.11Å; R250-Y253 PolarHBondContact O-N 3.1Å; R250-L254 WeakPolarHBondContact O-CG 3.48Å; R250-L254 PolarHBondContact O-N 2.92Å
251N97.3Very high96.7Very high77 Ų7771.9 Ų71.941%0.41236%0.358SS..Hα-helixtrans-65-44.3177.5-69.73.5000110.7I247 K248 Y253 L254 L255I247-N251 PolarHBondContact O-N 2.98Å; I247-N251 PolarHBondContact O-OD1 3.26Å; K248-N251 PolarHBondContact O-N 2.9Å; K248-N251 VanDerWaalsContact O-N 3.12Å; N251-Y253 VanDerWaalsContact C-N 3.3Å; N251-Y253 PolarHBondContact O-N 3.21Å; N251-L254 PolarHBondContact O-N 3.28Å; N251-L255 WeakPolarHBondContact O-CG 3.49Å; N251-L255 PolarHBondContact O-N 2.87Å
252E97.5Very high96.8Very high118 Ų11869.9 Ų69.955%0.55136%0.358SS*.Hα-helixtrans-58.4-41.9172.7-68.7-55.1134.900111.9V163 K248 L255 A256V163-E252 HydrophobicContact CG1-CB 4.3Å; K248-E252 WeakPolarHBondContact O-CG 3.36Å; K248-E252 PolarHBondContact O-N 3.2Å; E252-L255 PolarHBondContact O-N 3.21Å; E252-A256 WeakPolarHBondContact O-CB 3.45Å; E252-A256 PolarHBondContact O-N 3.39Å
253Y97.7Very high97Very high47 Ų4770.6 Ų70.618%0.18437%0.365CS..Hα-helixtrans-60.2-46.1174.3172.4-135.1000112.4L160 V163 M164 Y167 A249 R250 N251 L255 A256 L257L160-Y253 HydrophobicContact CD1-CD2 3.75Å; L160-Y253 HydrophobicContact CD1-CE2 3.68Å; L160-Y253 HydrophobicContact CG-CE2 4.32Å; V163-Y253 VanDerWaalsContact CG1-CA 3.44Å; M164-Y253 HydrophobicContact CG-CD2 3.6Å; M164-Y253 HydrophobicContact CG-CE2 3.23Å; M164-Y253 HydrophobicContact CG-CG 4.41Å; M164-Y253 HydrophobicContact SD-CE2 3.9Å; Y167-Y253 HydrophobicContact CD1-CD1 4.12Å; A249-Y253 WeakPolarHBondContact O-CB 3.32Å; A249-Y253 PolarHBondContact O-N 3.45Å; R250-Y253 PolarHBondContact O-N 3.1Å; N251-Y253 VanDerWaalsContact C-N 3.3Å; N251-Y253 PolarHBondContact O-N 3.21Å; Y253-L255 VanDerWaalsContact C-N 3.35Å; Y253-L255 PolarHBondContact O-N 3.44Å; Y253-A256 PolarHBondContact O-N 2.89Å; Y253-L257 HydrophobicContact CE2-CB 4.2Å; Y253-L257 HydrophobicContact CE2-CD1 4.38Å; Y253-L257 VanDerWaalsContact O-CB 3.23Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.36Å
254L97.5Very high97.1Very high94 Ų9468 Ų6849%0.49236%0.356SS..Hα-helixtrans-63.7-39.6178.6-69.3171.1000112.2R250 N251 L257 E258R250-L254 WeakPolarHBondContact O-CG 3.48Å; R250-L254 PolarHBondContact O-N 2.92Å; N251-L254 PolarHBondContact O-N 3.28Å; L254-L257 PolarHBondContact O-N 3.29Å; L254-E258 PolarHBondContact O-N 3.02Å; L254-E258 VanDerWaalsContact O-N 3.08Å
255L97.2Very high97.2Very high115 Ų11569.2 Ų69.260%0.60236%0.358SS*.Hα-helixtrans-64.9-46.6175.4-68.5173000111.7N251 E252 Y253 L257 E258 A259N251-L255 WeakPolarHBondContact O-CG 3.49Å; N251-L255 PolarHBondContact O-N 2.87Å; E252-L255 PolarHBondContact O-N 3.21Å; Y253-L255 VanDerWaalsContact C-N 3.35Å; Y253-L255 PolarHBondContact O-N 3.44Å; L255-L257 VanDerWaalsContact C-N 3.31Å; L255-L257 PolarHBondContact O-N 3.26Å; L255-E258 PolarHBondContact O-N 3.23Å; L255-A259 PolarHBondContact O-N 3.34Å
256A97.4Very high97.3Very high25 Ų2570.1 Ų70.121%0.20736%0.362CS..Hα-helixtrans-64.5-36.2177.400000112.1L160 V163 E252 Y253 A259 T260L160-A256 HydrophobicContact CD1-CB 3.9Å; V163-A256 HydrophobicContact CB-CB 4.46Å; V163-A256 HydrophobicContact CG1-CB 4.27Å; V163-A256 HydrophobicContact CG2-CB 4.26Å; E252-A256 WeakPolarHBondContact O-CB 3.45Å; E252-A256 PolarHBondContact O-N 3.39Å; Y253-A256 PolarHBondContact O-N 2.89Å; A256-A259 PolarHBondContact O-N 3.08Å; A256-T260 WeakPolarHBondContact O-CB 3.27Å; A256-T260 PolarHBondContact O-N 3.03Å; A256-T260 PolarHBondContact O-OG1 3.37Å
257L97.3Very high97.4Very high47 Ų4770 Ų7025%0.24636%0.36CS..Hα-helixtrans-63.5-45.6176.1-177.266.6000111L160 Y253 L254 L255 T260 N261L160-L257 HydrophobicContact CD1-CB 4.23Å; L160-L257 HydrophobicContact CD2-CD1 3.79Å; Y253-L257 HydrophobicContact CE2-CB 4.2Å; Y253-L257 HydrophobicContact CE2-CD1 4.38Å; Y253-L257 VanDerWaalsContact O-CB 3.23Å; Y253-L257 WeakPolarHBondContact O-CB 3.43Å; Y253-L257 PolarHBondContact O-N 3.36Å; L254-L257 PolarHBondContact O-N 3.29Å; L255-L257 VanDerWaalsContact C-N 3.31Å; L255-L257 PolarHBondContact O-N 3.26Å; L257-T260 PolarHBondContact O-N 3.48Å; L257-N261 WeakPolarHBondContact O-CB 3.35Å; L257-N261 VanDerWaalsContact O-CG 3.31Å; L257-N261 PolarHBondContact O-N 3.33Å; L257-N261 PolarHBondContact O-ND2 2.89Å
258E97.3Very high97.5Very high133 Ų13369.6 Ų69.662%0.62136%0.355SS*.Hα-helixtrans-62.8-45.1177.3-159.463.4-145.400111.3L254 L255 T260 N261 A262L254-E258 PolarHBondContact O-N 3.02Å; L254-E258 VanDerWaalsContact O-N 3.08Å; L255-E258 PolarHBondContact O-N 3.23Å; E258-T260 VanDerWaalsContact C-N 3.33Å; E258-T260 PolarHBondContact O-N 3.15Å; E258-N261 PolarHBondContact O-N 3.49Å; E258-A262 WeakPolarHBondContact O-CB 3.49Å; E258-A262 PolarHBondContact O-N 3.29Å
259A96.8Very high97.5Very high52 Ų5267.9 Ų67.943%0.4335%0.351SS..Hα-helixtrans-62.6-38.6175.900000112.7L255 A256 S263L255-A259 PolarHBondContact O-N 3.34Å; A256-A259 PolarHBondContact O-N 3.08Å; A259-S263 WeakPolarHBondContact O-CB 3.44Å; A259-S263 PolarHBondContact O-N 3.18Å; A259-S263 PolarHBondContact O-OG 2.88Å
260T98.1Very high97.5Very high7 Ų772 Ų724%0.04337%0.368CS..Hα-helixtrans-64.8-48.6176.3-58.30000111V156 L157 L160 A256 L257 E258 A262 S263 V264V156-T260 HydrophobicContact CG1-CG2 4.13Å; L157-T260 HydrophobicContact CD2-CG2 3.73Å; L160-T260 HydrophobicContact CD2-CG2 3.94Å; A256-T260 WeakPolarHBondContact O-CB 3.27Å; A256-T260 PolarHBondContact O-N 3.03Å; A256-T260 PolarHBondContact O-OG1 3.37Å; L257-T260 PolarHBondContact O-N 3.48Å; E258-T260 VanDerWaalsContact C-N 3.33Å; E258-T260 PolarHBondContact O-N 3.15Å; T260-A262 VanDerWaalsContact C-N 3.34Å; T260-A262 PolarHBondContact O-N 2.93Å; T260-S263 PolarHBondContact O-N 3.47Å; T260-V264 HydrophobicContact CG2-CG2 4.47Å; T260-V264 WeakPolarHBondContact O-CG2 3.31Å; T260-V264 PolarHBondContact O-N 2.71Å
261N97.6Very high97.5Very high84 Ų8467.8 Ų67.845%0.44935%0.354SS..Hα-helixtrans-61.7-42.7178.3-71.7-26.2000111.6L257 E258 S263 V264 F265L257-N261 WeakPolarHBondContact O-CB 3.35Å; L257-N261 VanDerWaalsContact O-CG 3.31Å; L257-N261 PolarHBondContact O-N 3.33Å; L257-N261 PolarHBondContact O-ND2 2.89Å; E258-N261 PolarHBondContact O-N 3.49Å; N261-S263 VanDerWaalsContact C-N 3.33Å; N261-S263 PolarHBondContact O-N 2.93Å; N261-V264 PolarHBondContact O-N 3.33Å; N261-F265 VanDerWaalsContact O-CB 3.3Å; N261-F265 WeakPolarHBondContact O-CB 3.29Å; N261-F265 PolarHBondContact O-N 3.47Å
262A97.4Very high97.4Very high57 Ų5765.6 Ų65.647%0.47134%0.343SS..Hα-helixtrans-61.9-40.4175.300000112E258 T260 F265 K266E258-A262 WeakPolarHBondContact O-CB 3.49Å; E258-A262 PolarHBondContact O-N 3.29Å; T260-A262 VanDerWaalsContact C-N 3.34Å; T260-A262 PolarHBondContact O-N 2.93Å; A262-F265 PolarHBondContact O-N 3.45Å; A262-K266 VanDerWaalsContact O-CB 3.31Å; A262-K266 WeakPolarHBondContact O-CB 3.4Å; A262-K266 PolarHBondContact O-N 3.14Å
263S97.9Very high97.2Very high38 Ų3863.1 Ų63.127%0.26634%0.338SS..Hα-helixtrans-67.1-44178-58.10000112.1A259 T260 N261 K266 Y267A259-S263 WeakPolarHBondContact O-CB 3.44Å; A259-S263 PolarHBondContact O-N 3.18Å; A259-S263 PolarHBondContact O-OG 2.88Å; T260-S263 PolarHBondContact O-N 3.47Å; N261-S263 VanDerWaalsContact C-N 3.33Å; N261-S263 PolarHBondContact O-N 2.93Å; S263-K266 PolarHBondContact O-N 3.26Å; S263-Y267 WeakPolarHBondContact O-CB 3.44Å; S263-Y267 PolarHBondContact O-N 3.26Å
264V98.1Very high97.1Very high35 Ų3565.2 Ų65.221%0.21235%0.353CS..Hα-helixtrans-60.1-48.6173.8171.80000110L153 L157 T260 N261 K266 Y267 Y268L153-V264 HydrophobicContact CD1-CB 4.48Å; L153-V264 HydrophobicContact CD1-CG2 3.84Å; L157-V264 HydrophobicContact CD2-CG2 4.21Å; T260-V264 HydrophobicContact CG2-CG2 4.47Å; T260-V264 WeakPolarHBondContact O-CG2 3.31Å; T260-V264 PolarHBondContact O-N 2.71Å; N261-V264 PolarHBondContact O-N 3.33Å; V264-K266 PolarHBondContact O-N 3.03Å; V264-Y267 PolarHBondContact O-N 3.12Å; V264-Y268 HydrophobicContact CG1-CD2 3.9Å; V264-Y268 HydrophobicContact CG1-CE2 4.18Å; V264-Y268 WeakPolarHBondContact O-CD2 3.39Å; V264-Y268 PolarHBondContact O-N 2.93Å; V264-Y268 VanDerWaalsContact O-N 3.07Å
265F98Very high96.9Very high121 Ų12161.1 Ų61.153%0.53133%0.331SS..Hα-helixtrans-59-49.3178.7-176-85.2000111.5N261 A262 Y267 Y268 I269 H270N261-F265 VanDerWaalsContact O-CB 3.3Å; N261-F265 WeakPolarHBondContact O-CB 3.29Å; N261-F265 PolarHBondContact O-N 3.47Å; A262-F265 PolarHBondContact O-N 3.45Å; F265-Y267 VanDerWaalsContact C-N 3.34Å; F265-Y267 PolarHBondContact O-N 3.49Å; F265-Y268 PolarHBondContact O-N 2.8Å; F265-I269 HydrophobicContact CD1-CB 4.37Å; F265-I269 HydrophobicContact CD1-CG1 4.21Å; F265-I269 HydrophobicContact CD2-CG1 3.93Å; F265-I269 HydrophobicContact CE1-CB 4.09Å; F265-I269 HydrophobicContact CE1-CG1 4.06Å; F265-I269 HydrophobicContact CE1-CG2 4.17Å; F265-I269 HydrophobicContact CE2-CG1 3.79Å; F265-I269 HydrophobicContact CG-CG1 4.14Å; F265-I269 HydrophobicContact CZ-CB 4.25Å; F265-I269 HydrophobicContact CZ-CG1 3.85Å; F265-I269 HydrophobicContact CZ-CG2 4.12Å; F265-I269 VanDerWaalsContact O-CB 3.27Å; F265-I269 WeakPolarHBondContact O-CB 3.37Å; F265-I269 VanDerWaalsContact O-CG1 3.28Å; F265-I269 WeakPolarHBondContact O-CG1 3.45Å; F265-I269 PolarHBondContact O-N 2.84Å; F265-H270 AromaticContact CE1-NE2 3.85Å
266K97.7Very high96.6Very high100 Ų10059 Ų5944%0.43532%0.32SS..Hα-helixtrans-57.3-46.4179.2-168.6-17577.376.60111.7A262 S263 V264 H270 D271A262-K266 VanDerWaalsContact O-CB 3.31Å; A262-K266 WeakPolarHBondContact O-CB 3.4Å; A262-K266 PolarHBondContact O-N 3.14Å; S263-K266 PolarHBondContact O-N 3.26Å; V264-K266 PolarHBondContact O-N 3.03Å; K266-H270 WeakPolarHBondContact O-CA 3.32Å; K266-H270 WeakPolarHBondContact O-CB 3.48Å; K266-H270 PolarHBondContact O-N 3.36Å; K266-D271 WeakPolarHBondContact CE-OD2 3.46Å; K266-D271 IonicContact NZ-OD1 2.73Å; K266-D271 PolarHBondContact NZ-OD1 3.02Å; K266-D271 IonicContact NZ-OD2 3.48Å; K266-D271 PolarHBondContact NZ-OD2 3.18Å; K266-D271 PolarHBondContact O-N 3.36Å
267Y98.4Very high96.1Very high4 Ų462.6 Ų62.62%0.01634%0.335CS..Iπ-helixtrans-60.5-52.7179.4175.6-92.9000112.2L28 Q31 L149 Q150 L153 S263 V264 F265 D271 L272L28-Y267 HydrophobicContact CD2-CD1 4.29Å; L28-Y267 HydrophobicContact CD2-CE1 3.36Å; L28-Y267 WeakPolarHBondContact CD2-OH 3.41Å; Q31-Y267 PolarHBondContact OE1-OH 2.91Å; L149-Y267 HydrophobicContact CB-CD2 4.16Å; L149-Y267 HydrophobicContact CB-CE2 3.99Å; Q150-Y267 HydrophobicContact CG-CE2 4.11Å; Q150-Y267 WeakPolarHBondContact CG-OH 3.31Å; Q150-Y267 PolarHBondContact NE2-OH 3.24Å; L153-Y267 HydrophobicContact CD2-CD1 3.71Å; L153-Y267 HydrophobicContact CD2-CD2 4.33Å; L153-Y267 HydrophobicContact CD2-CE1 4.24Å; L153-Y267 HydrophobicContact CD2-CG 3.78Å; S263-Y267 WeakPolarHBondContact O-CB 3.44Å; S263-Y267 PolarHBondContact O-N 3.26Å; V264-Y267 PolarHBondContact O-N 3.12Å; F265-Y267 VanDerWaalsContact C-N 3.34Å; F265-Y267 PolarHBondContact O-N 3.49Å; Y267-D271 WeakPolarHBondContact CA-OD2 3.37Å; Y267-L272 WeakPolarHBondContact O-CB 3.42Å; Y267-L272 PolarHBondContact O-N 2.88Å
268Y97.4Very high95.6Very high55 Ų5563.5 Ų63.522%0.21635%0.345CS..Iπ-helixtrans-75.9-30-172.8-83.5-84.7000114.1Q27 Q31 L153 V264 F265Q27-Y268 VanDerWaalsContact OE1-CE1 3.26Å; Q27-Y268 VanDerWaalsContact OE1-CZ 3.31Å; Q27-Y268 PolarHBondContact OE1-OH 3.38Å; Q31-Y268 VanDerWaalsContact NE2-CE1 3.3Å; L153-Y268 HydrophobicContact CD2-CE2 4.4Å; V264-Y268 HydrophobicContact CG1-CD2 3.9Å; V264-Y268 HydrophobicContact CG1-CE2 4.18Å; V264-Y268 WeakPolarHBondContact O-CD2 3.39Å; V264-Y268 PolarHBondContact O-N 2.93Å; V264-Y268 VanDerWaalsContact O-N 3.07Å; F265-Y268 PolarHBondContact O-N 2.8Å
269I96.9Very high95Very high93 Ų9358 Ų5848%0.47732%0.321SS..Iπ-helixtrans-96.2-33-174.1-55.9-57.2000112.2F265F265-I269 HydrophobicContact CD1-CB 4.37Å; F265-I269 HydrophobicContact CD1-CG1 4.21Å; F265-I269 HydrophobicContact CD2-CG1 3.93Å; F265-I269 HydrophobicContact CE1-CB 4.09Å; F265-I269 HydrophobicContact CE1-CG1 4.06Å; F265-I269 HydrophobicContact CE1-CG2 4.17Å; F265-I269 HydrophobicContact CE2-CG1 3.79Å; F265-I269 HydrophobicContact CG-CG1 4.14Å; F265-I269 HydrophobicContact CZ-CB 4.25Å; F265-I269 HydrophobicContact CZ-CG1 3.85Å; F265-I269 HydrophobicContact CZ-CG2 4.12Å; F265-I269 VanDerWaalsContact O-CB 3.27Å; F265-I269 WeakPolarHBondContact O-CB 3.37Å; F265-I269 VanDerWaalsContact O-CG1 3.28Å; F265-I269 WeakPolarHBondContact O-CG1 3.45Å; F265-I269 PolarHBondContact O-N 2.84Å
270H96.1Very high94.2Very high96 Ų9657.3 Ų57.344%0.44431%0.31SS..Iπ-helixtrans-118.2-62.6-173.8-58.3-56.8000111.9F265 K266 L272 S273 D274F265-H270 AromaticContact CE1-NE2 3.85Å; K266-H270 WeakPolarHBondContact O-CA 3.32Å; K266-H270 WeakPolarHBondContact O-CB 3.48Å; K266-H270 PolarHBondContact O-N 3.36Å; H270-L272 VanDerWaalsContact C-N 3.28Å; H270-L272 PolarHBondContact O-N 3.12Å; H270-L272 VanDerWaalsContact O-N 3.16Å; H270-S273 WeakPolarHBondContact O-CB 3.49Å; H270-S273 PolarHBondContact O-N 3.49Å; H270-D274 PolarHBondContact O-N 3.37Å
271D97.3Very high93.8Very high26 Ų2662.4 Ų62.414%0.13934%0.337CS..Iπ-helixtrans-61-36.8-168-54.3-32.3000112.7L149 K266 Y267 S273 D274 L275L149-D271 HydrophobicContact CD1-CB 4.1Å; L149-D271 HydrophobicContact CD2-CB 4.42Å; K266-D271 WeakPolarHBondContact CE-OD2 3.46Å; K266-D271 IonicContact NZ-OD1 2.73Å; K266-D271 PolarHBondContact NZ-OD1 3.02Å; K266-D271 IonicContact NZ-OD2 3.48Å; K266-D271 PolarHBondContact NZ-OD2 3.18Å; K266-D271 PolarHBondContact O-N 3.36Å; Y267-D271 WeakPolarHBondContact CA-OD2 3.37Å; D271-S273 VanDerWaalsContact C-N 3.34Å; D271-D274 PolarHBondContact O-N 3.05Å; D271-L275 VanDerWaalsContact O-CB 3.25Å; D271-L275 WeakPolarHBondContact O-CB 3.43Å; D271-L275 PolarHBondContact O-N 3.02Å
272L95.3Very high93.4Very high31 Ų3160.3 Ų60.316%0.16233%0.334CS..Hα-helixtrans-66.3-36.2178.3-171.166.2000112.1Y267 H270 L275 I276Y267-L272 WeakPolarHBondContact O-CB 3.42Å; Y267-L272 PolarHBondContact O-N 2.88Å; H270-L272 VanDerWaalsContact C-N 3.28Å; H270-L272 PolarHBondContact O-N 3.12Å; H270-L272 VanDerWaalsContact O-N 3.16Å; L272-L275 HydrophobicContact CD1-CD2 4.48Å; L272-I276 WeakPolarHBondContact O-CD1 3.28Å; L272-I276 VanDerWaalsContact O-CG1 3.31Å; L272-I276 WeakPolarHBondContact O-CG1 3.49Å; L272-I276 PolarHBondContact O-N 3.34Å
273S94.8Very high93.2Very high65 Ų6558.2 Ų58.246%0.45531%0.314SS..Hα-helixtrans-67.5-49.7175.7-168.80000110.4H270 D271 L275 I276 D277H270-S273 WeakPolarHBondContact O-CB 3.49Å; H270-S273 PolarHBondContact O-N 3.49Å; D271-S273 VanDerWaalsContact C-N 3.34Å; S273-L275 PolarHBondContact O-N 3.26Å; S273-I276 WeakPolarHBondContact O-CB 3.36Å; S273-I276 PolarHBondContact O-N 3.24Å; S273-D277 PolarHBondContact O-N 3.19Å; S273-D277 VanDerWaalsContact O-N 3.09Å
274D94.4Very high93.1Very high92 Ų9261.6 Ų61.649%0.49233%0.326SS..Hα-helixtrans-61.1-33.6179.5-63.8-15.7000111.7H270 D271 D277 C278H270-D274 PolarHBondContact O-N 3.37Å; D271-D274 PolarHBondContact O-N 3.05Å; D274-D277 PolarHBondContact O-N 3.46Å; D274-C278 PolarHBondContact O-N 3.21Å; D274-C278 VanDerWaalsContact O-N 3.12Å; D274-C278 PolarHBondContact O-SG 3.19Å
275L93.6Very high92.9Very high8 Ų862.7 Ų62.74%0.04234%0.338CS..Hα-helixtrans-65.8-39.9174.617965.3000112.6L35 S142 V145 D271 L272 S273 D277 C278 C279L35-L275 HydrophobicContact CD1-CD2 4.12Å; S142-L275 WeakPolarHBondContact O-CD1 3.35Å; V145-L275 HydrophobicContact CB-CD1 4.27Å; V145-L275 HydrophobicContact CG1-CD1 4.19Å; D271-L275 VanDerWaalsContact O-CB 3.25Å; D271-L275 WeakPolarHBondContact O-CB 3.43Å; D271-L275 PolarHBondContact O-N 3.02Å; L272-L275 HydrophobicContact CD1-CD2 4.48Å; S273-L275 PolarHBondContact O-N 3.26Å; L275-D277 VanDerWaalsContact C-N 3.34Å; L275-C278 WeakPolarHBondContact O-CB 3.31Å; L275-C278 PolarHBondContact O-N 2.89Å; L275-C279 PolarHBondContact O-N 3.38Å; L275-C279 VanDerWaalsContact O-N 3.14Å; L275-C279 PolarHBondContact O-SG 3.23Å; L275-C279 VanDerWaalsContact O-SG 3.34Å
276I90.6Very high92.9Very high71 Ų7158.5 Ų58.536%0.36432%0.324SS..Hα-helixtrans-64.7-43.1176.3-68.6163.4000109.6L35 L272 S273 C278 C279 D280L35-I276 HydrophobicContact CD2-CG1 4.1Å; L272-I276 WeakPolarHBondContact O-CD1 3.28Å; L272-I276 VanDerWaalsContact O-CG1 3.31Å; L272-I276 WeakPolarHBondContact O-CG1 3.49Å; L272-I276 PolarHBondContact O-N 3.34Å; S273-I276 WeakPolarHBondContact O-CB 3.36Å; S273-I276 PolarHBondContact O-N 3.24Å; I276-C278 PolarHBondContact O-N 3.11Å; I276-C279 WeakPolarHBondContact O-CA 3.48Å; I276-C279 VanDerWaalsContact O-CB 3.31Å; I276-C279 WeakPolarHBondContact O-CB 3.41Å; I276-C279 PolarHBondContact O-N 2.92Å; I276-D280 PolarHBondContact O-N 2.7Å
277D87.8Confident92.8Very high99 Ų9955 Ų5553%0.52931%0.31SS..Hα-helixtrans-59.6-34.5176.2-68.8-21.1000112S273 D274 L275 D280 L281S273-D277 PolarHBondContact O-N 3.19Å; S273-D277 VanDerWaalsContact O-N 3.09Å; D274-D277 PolarHBondContact O-N 3.46Å; L275-D277 VanDerWaalsContact C-N 3.34Å; D277-D280 PolarHBondContact O-N 3.47Å; D277-L281 PolarHBondContact O-N 2.76Å
278C86.1Confident92.8Very high66 Ų6658.5 Ų58.545%0.44633%0.329SS..Hα-helixtrans-67.5-34.6173.2-67.10000113.1S142 D274 L275 I276 D280 L281S142-C278 PolarHBondContact OG-O 2.87Å; D274-C278 PolarHBondContact O-N 3.21Å; D274-C278 VanDerWaalsContact O-N 3.12Å; D274-C278 PolarHBondContact O-SG 3.19Å; L275-C278 WeakPolarHBondContact O-CB 3.31Å; L275-C278 PolarHBondContact O-N 2.89Å; I276-C278 PolarHBondContact O-N 3.11Å; C278-D280 PolarHBondContact O-N 3.44Å; C278-L281 WeakPolarHBondContact O-CB 3.48Å
279C84.3Confident92.8Very high18 Ų1862.8 Ų62.812%0.12235%0.345CS..Hα-helixtrans-66.7-27.9174.4-63.60000112.5S142 L275 I276S142-C279 WeakPolarHBondContact CB-SG 3.47Å; L275-C279 PolarHBondContact O-N 3.38Å; L275-C279 VanDerWaalsContact O-N 3.14Å; L275-C279 PolarHBondContact O-SG 3.23Å; L275-C279 VanDerWaalsContact O-SG 3.34Å; I276-C279 WeakPolarHBondContact O-CA 3.48Å; I276-C279 VanDerWaalsContact O-CB 3.31Å; I276-C279 WeakPolarHBondContact O-CB 3.41Å; I276-C279 PolarHBondContact O-N 2.92Å
280D80.4Confident92.9Very high37 Ų3758.3 Ų58.320%0.19832%0.322CS..THydrogen-bonded Turntrans-96.60.8-173.6-68.916.2000112.7R42 I276 D277 C278 G282 Y283 H284R42-D280 IonicContact CZ-OD1 3.89Å; R42-D280 IonicContact CZ-OD2 3.79Å; R42-D280 IonicContact NH1-OD1 3.44Å; R42-D280 PolarHBondContact NH1-OD1 2.85Å; R42-D280 IonicContact NH2-OD1 2.69Å; R42-D280 PolarHBondContact NH2-OD1 2.94Å; R42-D280 IonicContact NH2-OD2 2.67Å; R42-D280 PolarHBondContact NH2-OD2 3.3Å; I276-D280 PolarHBondContact O-N 2.7Å; D277-D280 PolarHBondContact O-N 3.47Å; C278-D280 PolarHBondContact O-N 3.44Å; D280-G282 PolarHBondContact O-N 3.16Å; D280-Y283 PolarHBondContact O-N 2.91Å; D280-Y283 VanDerWaalsContact O-N 3.07Å; D280-H284 IonicContact OD2-NE2 2.71Å
281L89.3Confident93Very high115 Ų11556.9 Ų56.960%0.60232%0.317SS*.THydrogen-bonded Turntrans-57.1109-171-169.169.4000111.7L138 D277 C278 Y283L138-L281 WeakPolarHBondContact CD1-O 3.26Å; L138-L281 HydrophobicContact CD2-CD2 4.21Å; D277-L281 PolarHBondContact O-N 2.76Å; C278-L281 WeakPolarHBondContact O-CB 3.48Å; L281-Y283 PolarHBondContact O-N 3.1Å
282G89.8Confident93Very high39 Ų3963.1 Ų63.140%0.40234%0.339SS..THydrogen-bonded Turntrans77.5-4.8176.800000115.7D280 S286D280-G282 PolarHBondContact O-N 3.16Å; G282-S286 VanDerWaalsContact O-CB 3.27Å; G282-S286 WeakPolarHBondContact O-CB 3.48Å; G282-S286 PolarHBondContact O-N 3.38Å; G282-S286 PolarHBondContact O-OG 3.2Å
283Y93.6Very high93.2Very high13 Ų1363.1 Ų63.15%0.05134%0.34CS..Hα-helixtrans-61.8-58.9-179.3174.1-107.2000111.5R42 L46 V131 D280 L281 A285 S286 L287R42-Y283 HydrophobicContact CB-CE2 4.3Å; R42-Y283 HydrophobicContact CG-CE1 4.3Å; L46-Y283 HydrophobicContact CD1-CE2 3.97Å; L46-Y283 HydrophobicContact CD2-CE2 4.2Å; L46-Y283 HydrophobicContact CG-CE2 4.14Å; V131-Y283 HydrophobicContact CG1-CD2 4.04Å; V131-Y283 HydrophobicContact CG1-CE2 4.42Å; D280-Y283 PolarHBondContact O-N 2.91Å; D280-Y283 VanDerWaalsContact O-N 3.07Å; L281-Y283 PolarHBondContact O-N 3.1Å; Y283-A285 VanDerWaalsContact C-N 3.35Å; Y283-A285 PolarHBondContact O-N 3.12Å; Y283-S286 PolarHBondContact O-N 3.45Å; Y283-L287 HydrophobicContact CE1-CD2 4.29Å; Y283-L287 WeakPolarHBondContact O-CB 3.33Å; Y283-L287 PolarHBondContact O-N 2.8Å
284H94.5Very high93.3Very high109 Ų10962.3 Ų62.351%0.50533%0.329SS..Hα-helixtrans-61.8-41.2-178.7-66.6-72.9000112.7D280 S286 L287 N288D280-H284 IonicContact OD2-NE2 2.71Å; H284-S286 VanDerWaalsContact C-N 3.33Å; H284-S286 PolarHBondContact O-N 2.98Å; H284-L287 PolarHBondContact O-N 3.35Å; H284-N288 VanDerWaalsContact O-CB 3.22Å; H284-N288 WeakPolarHBondContact O-CB 3.46Å; H284-N288 PolarHBondContact O-N 3.07Å
285A95.7Very high93.5Very high58 Ų5862.9 Ų62.948%0.47933%0.331SS..Hα-helixtrans-63.2-40.9178.700000111.7Y283 R289Y283-A285 VanDerWaalsContact C-N 3.35Å; Y283-A285 PolarHBondContact O-N 3.12Å; A285-R289 VanDerWaalsContact O-CG 3.3Å; A285-R289 WeakPolarHBondContact O-CG 3.28Å; A285-R289 PolarHBondContact O-N 3.5Å; A285-R289 VanDerWaalsContact O-N 3.11Å
286S96.2Very high93.8Very high34 Ų3465.5 Ų65.524%0.23835%0.35CS..Hα-helixtrans-72.3-42179.3-55.60000112G282 Y283 H284 R289 A290G282-S286 VanDerWaalsContact O-CB 3.27Å; G282-S286 WeakPolarHBondContact O-CB 3.48Å; G282-S286 PolarHBondContact O-N 3.38Å; G282-S286 PolarHBondContact O-OG 3.2Å; Y283-S286 PolarHBondContact O-N 3.45Å; H284-S286 VanDerWaalsContact C-N 3.33Å; H284-S286 PolarHBondContact O-N 2.98Å; S286-R289 PolarHBondContact O-N 2.76Å; S286-A290 PolarHBondContact O-N 3.19Å
287L96.6Very high94.2Very high27 Ų2762.7 Ų62.714%0.14134%0.337CS..Hα-helixtrans-59.8-47173.4-179.456.3000111.5L49 F128 Y283 H284 R289 A290 L291L49-L287 HydrophobicContact CD1-CD1 3.88Å; F128-L287 HydrophobicContact CD1-CD1 4.5Å; F128-L287 HydrophobicContact CE1-CD1 3.64Å; F128-L287 HydrophobicContact CZ-CD1 4.44Å; Y283-L287 HydrophobicContact CE1-CD2 4.29Å; Y283-L287 WeakPolarHBondContact O-CB 3.33Å; Y283-L287 PolarHBondContact O-N 2.8Å; H284-L287 PolarHBondContact O-N 3.35Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.18Å; L287-A290 PolarHBondContact O-N 3.38Å; L287-L291 HydrophobicContact CD1-CD1 3.97Å; L287-L291 HydrophobicContact CD1-CG 4.14Å; L287-L291 HydrophobicContact CG-CD1 4.1Å; L287-L291 WeakPolarHBondContact O-CG 3.29Å; L287-L291 PolarHBondContact O-N 2.8Å
288N97.9Very high94.6Very high76 Ų7660 Ų6041%0.40632%0.321SS..Hα-helixtrans-57.2-42.5175.5167.774.1000111.8H284 R292H284-N288 VanDerWaalsContact O-CB 3.22Å; H284-N288 WeakPolarHBondContact O-CB 3.46Å; H284-N288 PolarHBondContact O-N 3.07Å; N288-R292 VanDerWaalsContact O-CB 3.28Å; N288-R292 WeakPolarHBondContact O-CB 2.93Å; N288-R292 VanDerWaalsContact O-CG 3.24Å; N288-R292 WeakPolarHBondContact O-CG 3.47Å; N288-R292 PolarHBondContact O-N 3.2Å; N288-R292 PolarHBondContact OD1-NE 3.09Å
289R98.1Very high95.2Very high145 Ų14562.4 Ų62.455%0.54733%0.329SS..Hα-helixtrans-67.4-40.3178-72.7167.963.1-152.61.8112.5A285 S286 L287 R292 T293A285-R289 VanDerWaalsContact O-CG 3.3Å; A285-R289 WeakPolarHBondContact O-CG 3.28Å; A285-R289 PolarHBondContact O-N 3.5Å; A285-R289 VanDerWaalsContact O-N 3.11Å; S286-R289 PolarHBondContact O-N 2.76Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.18Å; R289-R292 PolarHBondContact O-N 2.82Å; R289-T293 PolarHBondContact O-N 3.2Å; R289-T293 PolarHBondContact O-OG1 3.31Å
290A98Very high95.9Very high0 Ų065.9 Ų65.90%035%0.347CS..Hα-helixtrans-63-46.917600000111.3R127 F128 S286 L287 T293 F294R127-A290 HydrophobicContact CB-CB 4.2Å; F128-A290 HydrophobicContact CD1-CB 4.19Å; F128-A290 HydrophobicContact CE1-CB 3.52Å; F128-A290 HydrophobicContact CE2-CB 4.47Å; F128-A290 HydrophobicContact CZ-CB 3.7Å; S286-A290 PolarHBondContact O-N 3.19Å; L287-A290 PolarHBondContact O-N 3.38Å; A290-T293 VanDerWaalsContact O-CB 3.29Å; A290-T293 WeakPolarHBondContact O-CB 3.48Å; A290-T293 PolarHBondContact O-N 3.08Å; A290-T293 VanDerWaalsContact O-N 3.15Å; A290-F294 PolarHBondContact O-N 3.39Å; A290-F294 VanDerWaalsContact O-N 3.16Å
291L98.3Very high96.7Very high66 Ų6664.8 Ų64.835%0.34634%0.341SS..Hα-helixtrans-69-34.7177.9-65.7175.7000112.9F128 L287 T293 F294 L295F128-L291 HydrophobicContact CZ-CD2 4.28Å; L287-L291 HydrophobicContact CD1-CD1 3.97Å; L287-L291 HydrophobicContact CD1-CG 4.14Å; L287-L291 HydrophobicContact CG-CD1 4.1Å; L287-L291 WeakPolarHBondContact O-CG 3.29Å; L287-L291 PolarHBondContact O-N 2.8Å; L291-T293 VanDerWaalsContact C-N 3.26Å; L291-T293 PolarHBondContact O-N 3.29Å; L291-F294 VanDerWaalsContact O-CB 3.32Å; L291-F294 WeakPolarHBondContact O-CB 3.41Å; L291-F294 PolarHBondContact O-N 3.31Å; L291-L295 WeakPolarHBondContact O-CG 3.28Å; L291-L295 PolarHBondContact O-N 2.93Å
292R98.2Very high97.1Very high156 Ų15664 Ų6459%0.58933%0.334SS*.Hα-helixtrans-66-30171-77.3179.1177.5-86-0112.8N288 R289 F294 L295 S296N288-R292 VanDerWaalsContact O-CB 3.28Å; N288-R292 WeakPolarHBondContact O-CB 2.93Å; N288-R292 VanDerWaalsContact O-CG 3.24Å; N288-R292 WeakPolarHBondContact O-CG 3.47Å; N288-R292 PolarHBondContact O-N 3.2Å; N288-R292 PolarHBondContact OD1-NE 3.09Å; R289-R292 PolarHBondContact O-N 2.82Å; R292-F294 VanDerWaalsContact C-N 3.35Å; R292-L295 PolarHBondContact O-N 3.1Å; R292-S296 VanDerWaalsContact O-CB 3.28Å; R292-S296 WeakPolarHBondContact O-CB 3.47Å; R292-S296 PolarHBondContact O-N 2.73Å
293T98.5Very high97.5Very high31 Ų3167.2 Ų67.219%0.1934%0.339CS..Hα-helixtrans-65.5-41.7172.4-53.80000110.3I119 I124 R289 A290 L291 S296 A297I119-T293 HydrophobicContact CG2-CG2 4.32Å; I124-T293 HydrophobicContact CD1-CG2 4.4Å; I124-T293 HydrophobicContact CG1-CG2 4.02Å; R289-T293 PolarHBondContact O-N 3.2Å; R289-T293 PolarHBondContact O-OG1 3.31Å; A290-T293 VanDerWaalsContact O-CB 3.29Å; A290-T293 WeakPolarHBondContact O-CB 3.48Å; A290-T293 PolarHBondContact O-N 3.08Å; A290-T293 VanDerWaalsContact O-N 3.15Å; L291-T293 VanDerWaalsContact C-N 3.26Å; L291-T293 PolarHBondContact O-N 3.29Å; T293-S296 PolarHBondContact O-N 3.36Å; T293-A297 WeakPolarHBondContact O-CB 3.37Å; T293-A297 PolarHBondContact O-N 2.98Å
294F98.4Very high97.7Very high49 Ų4967.5 Ų67.522%0.21534%0.342CS..Hα-helixtrans-57.8-53.9171.1162.3-107.7000111.8F53 Y120 I124 A290 L291 R292 S296 A297 E298F53-F294 HydrophobicContact CE1-CB 4.22Å; F53-F294 AromaticContact CE1-CD2 3.55Å; F53-F294 HydrophobicContact CE1-CD2 3.55Å; F53-F294 HydrophobicContact CE1-CE2 4.12Å; F53-F294 HydrophobicContact CE1-CG 4.02Å; F53-F294 HydrophobicContact CZ-CB 4.04Å; F53-F294 AromaticContact CZ-CD2 3.92Å; F53-F294 HydrophobicContact CZ-CD2 3.92Å; F53-F294 AromaticContact CZ-CG 3.94Å; F53-F294 HydrophobicContact CZ-CG 3.94Å; Y120-F294 AromaticContact CE1-CD2 3.92Å; Y120-F294 HydrophobicContact CE1-CD2 3.92Å; Y120-F294 WeakPolarHBondContact OH-CE2 3.37Å; I124-F294 HydrophobicContact CD1-CB 3.66Å; A290-F294 PolarHBondContact O-N 3.39Å; A290-F294 VanDerWaalsContact O-N 3.16Å; L291-F294 VanDerWaalsContact O-CB 3.32Å; L291-F294 WeakPolarHBondContact O-CB 3.41Å; L291-F294 PolarHBondContact O-N 3.31Å; R292-F294 VanDerWaalsContact C-N 3.35Å; F294-S296 VanDerWaalsContact C-N 3.29Å; F294-S296 PolarHBondContact O-N 3.39Å; F294-A297 WeakPolarHBondContact O-CB 3.41Å; F294-A297 PolarHBondContact O-N 3.04Å; F294-E298 HydrophobicContact CD2-CG 4.02Å; F294-E298 HydrophobicContact CE1-CG 4.46Å; F294-E298 HydrophobicContact CE2-CG 3.55Å; F294-E298 WeakPolarHBondContact CE2-OE1 3.39Å; F294-E298 HydrophobicContact CZ-CG 3.79Å; F294-E298 PolarHBondContact O-N 2.94Å
295L98.6Very high97.9Very high103 Ų10365.7 Ų65.754%0.53933%0.333SS..Hα-helixtrans-59.3-39.9-179.8-67171000112.4L291 R292 A297 L299L291-L295 WeakPolarHBondContact O-CG 3.28Å; L291-L295 PolarHBondContact O-N 2.93Å; R292-L295 PolarHBondContact O-N 3.1Å; L295-A297 VanDerWaalsContact C-N 3.33Å; L295-L299 WeakPolarHBondContact O-CB 3.4Å; L295-L299 PolarHBondContact O-N 2.93Å
296S98.6Very high98Very high64 Ų6469 Ų6945%0.44834%0.338SS..Hα-helixtrans-63.6-39.9175.9-1740000111.7R292 T293 F294 N300R292-S296 VanDerWaalsContact O-CB 3.28Å; R292-S296 WeakPolarHBondContact O-CB 3.47Å; R292-S296 PolarHBondContact O-N 2.73Å; T293-S296 PolarHBondContact O-N 3.36Å; F294-S296 VanDerWaalsContact C-N 3.29Å; F294-S296 PolarHBondContact O-N 3.39Å; S296-N300 PolarHBondContact O-N 3.15Å; S296-N300 VanDerWaalsContact O-N 3.13Å; S296-N300 PolarHBondContact O-ND2 3Å
297A98.4Very high98.1Very high11 Ų1171.7 Ų71.79%0.09135%0.347CS..Hα-helixtrans-66.8-44.8179.500000111.5L116 I119 T293 F294 L295 N300 L301L116-A297 HydrophobicContact CD1-CB 3.54Å; I119-A297 HydrophobicContact CD1-CB 3.95Å; I119-A297 HydrophobicContact CG2-CB 4.08Å; T293-A297 WeakPolarHBondContact O-CB 3.37Å; T293-A297 PolarHBondContact O-N 2.98Å; F294-A297 WeakPolarHBondContact O-CB 3.41Å; F294-A297 PolarHBondContact O-N 3.04Å; L295-A297 VanDerWaalsContact C-N 3.33Å; A297-N300 PolarHBondContact O-N 3.37Å; A297-L301 PolarHBondContact O-N 3.25Å
298E98.1Very high98.1Very high42 Ų4270.7 Ų70.720%0.19634%0.343CS..Hα-helixtrans-62.4-44.2175.9-64.5-69.4-178.800111.5K56 Y120 F294 N300 L301 E302K56-E298 IonicContact NZ-OE1 2.97Å; K56-E298 PolarHBondContact NZ-OE1 3.29Å; Y120-E298 PolarHBondContact OH-OE1 3.41Å; F294-E298 HydrophobicContact CD2-CG 4.02Å; F294-E298 HydrophobicContact CE1-CG 4.46Å; F294-E298 HydrophobicContact CE2-CG 3.55Å; F294-E298 WeakPolarHBondContact CE2-OE1 3.39Å; F294-E298 HydrophobicContact CZ-CG 3.79Å; F294-E298 PolarHBondContact O-N 2.94Å; E298-N300 VanDerWaalsContact C-N 3.34Å; E298-N300 PolarHBondContact O-N 3.45Å; E298-L301 PolarHBondContact O-N 3.07Å; E298-E302 WeakPolarHBondContact O-CG 3.31Å; E298-E302 PolarHBondContact O-N 3.12Å
299L98.1Very high98.1Very high117 Ų11771 Ų7161%0.61334%0.344SS*.Hα-helixtrans-60-41.817818064.5000112.6L295 E302 Q303L295-L299 WeakPolarHBondContact O-CB 3.4Å; L295-L299 PolarHBondContact O-N 2.93Å; L299-E302 PolarHBondContact O-N 3.06Å; L299-Q303 WeakPolarHBondContact O-CB 3.43Å; L299-Q303 PolarHBondContact O-N 3.43Å
300N98Very high98.1Very high92 Ų9268.3 Ų68.349%0.49234%0.341SS..Hα-helixtrans-70.4-34.5178.5-80-94.7000111.7S296 A297 E298 Q303 S304S296-N300 PolarHBondContact O-N 3.15Å; S296-N300 VanDerWaalsContact O-N 3.13Å; S296-N300 PolarHBondContact O-ND2 3Å; A297-N300 PolarHBondContact O-N 3.37Å; E298-N300 VanDerWaalsContact C-N 3.34Å; E298-N300 PolarHBondContact O-N 3.45Å; N300-Q303 PolarHBondContact O-N 2.75Å; N300-S304 WeakPolarHBondContact O-CB 3.39Å; N300-S304 PolarHBondContact O-N 2.59Å
301L98.1Very high98Very high13 Ų1370.1 Ų70.17%0.06836%0.356CS..Hα-helixtrans-63.6-48.2173.5-174.4153000110.7D112 L116 A297 E298 Q303 S304 K305D112-L301 HydrophobicContact CB-CD1 4.33Å; D112-L301 HydrophobicContact CB-CG 4.2Å; L116-L301 HydrophobicContact CB-CD1 4.21Å; L116-L301 HydrophobicContact CD2-CD1 3.69Å; L116-L301 HydrophobicContact CG-CD1 4.46Å; A297-L301 PolarHBondContact O-N 3.25Å; E298-L301 PolarHBondContact O-N 3.07Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.1Å; L301-S304 PolarHBondContact O-N 3.27Å; L301-K305 WeakPolarHBondContact O-CB 3.47Å; L301-K305 PolarHBondContact O-N 3.48Å
302E97.4Very high98Very high99 Ų9968.3 Ų68.346%0.46335%0.346SS..Hα-helixtrans-62.7-38.5177.5-69.6-58.7150.200112.2E298 L299 K305 H306E298-E302 WeakPolarHBondContact O-CG 3.31Å; E298-E302 PolarHBondContact O-N 3.12Å; L299-E302 PolarHBondContact O-N 3.06Å; E302-K305 PolarHBondContact O-N 2.88Å; E302-H306 WeakPolarHBondContact O-CB 3.5Å; E302-H306 PolarHBondContact O-N 3.42Å
303Q97.9Very high98Very high107 Ų10766.2 Ų66.250%0.534%0.343SS..Hα-helixtrans-63.4-47.6174.6-176.1174.23.400111.9L299 N300 L301 K305 H306 E307L299-Q303 WeakPolarHBondContact O-CB 3.43Å; L299-Q303 PolarHBondContact O-N 3.43Å; N300-Q303 PolarHBondContact O-N 2.75Å; L301-Q303 VanDerWaalsContact C-N 3.33Å; L301-Q303 PolarHBondContact O-N 3.1Å; Q303-K305 VanDerWaalsContact C-N 3.27Å; Q303-K305 PolarHBondContact O-N 3.49Å; Q303-H306 PolarHBondContact O-N 3.41Å; Q303-E307 WeakPolarHBondContact O-CG 3.43Å; Q303-E307 PolarHBondContact O-N 3.25Å
304S98.3Very high97.8Very high18 Ų1868.7 Ų68.713%0.12636%0.355CS..Hα-helixtrans-60.8-39176.4-178.80000111.7R108 D112 N300 L301 G308R108-S304 WeakPolarHBondContact CD-O 3.39Å; R108-S304 WeakPolarHBondContact CD-OG 3.31Å; R108-S304 PolarHBondContact NH1-OG 2.96Å; D112-S304 WeakPolarHBondContact OD2-CB 3.48Å; D112-S304 PolarHBondContact OD2-OG 2.9Å; N300-S304 WeakPolarHBondContact O-CB 3.39Å; N300-S304 PolarHBondContact O-N 2.59Å; L301-S304 PolarHBondContact O-N 3.27Å; S304-G308 PolarHBondContact O-N 3.15Å
305K98.1Very high97.7Very high71 Ų7166.4 Ų66.431%0.30935%0.346SS..Hα-helixtrans-62.6-47.6174.2-175.8177.3-179.3-176.80111.2Q105 E109 L301 E302 Q303 G308 L309Q105-K305 PolarHBondContact NE2-O 3.12Å; Q105-K305 VanDerWaalsContact NE2-O 3.1Å; E109-K305 VanDerWaalsContact OE1-CE 3.28Å; E109-K305 WeakPolarHBondContact OE1-CE 3.4Å; L301-K305 WeakPolarHBondContact O-CB 3.47Å; L301-K305 PolarHBondContact O-N 3.48Å; E302-K305 PolarHBondContact O-N 2.88Å; Q303-K305 VanDerWaalsContact C-N 3.27Å; Q303-K305 PolarHBondContact O-N 3.49Å; K305-G308 PolarHBondContact O-N 2.89Å; K305-L309 HydrophobicContact CG-CD1 4.08Å; K305-L309 HydrophobicContact CG-CG 4.42Å; K305-L309 WeakPolarHBondContact O-CG 3.33Å; K305-L309 PolarHBondContact O-N 3.01Å
306H98.2Very high97.6Very high128 Ų12865.2 Ų65.259%0.59334%0.342SS*.Hα-helixtrans-59.1-47.7178.8-17760.7000112.2E302 Q303 G308 L309 D310E302-H306 WeakPolarHBondContact O-CB 3.5Å; E302-H306 PolarHBondContact O-N 3.42Å; Q303-H306 PolarHBondContact O-N 3.41Å; H306-G308 PolarHBondContact O-N 3.17Å; H306-L309 PolarHBondContact O-N 2.91Å; H306-L309 VanDerWaalsContact O-N 3.14Å; H306-D310 WeakPolarHBondContact O-CB 3.36Å; H306-D310 PolarHBondContact O-N 2.97Å
307E97.6Very high97.5Very high91 Ų9168.7 Ų68.743%0.42535%0.352SS..Hα-helixtrans-54.5-39175.1-71.9173.8-172.700112.8R108 Q303 A311R108-E307 IonicContact CZ-OE2 3.74Å; R108-E307 IonicContact NH1-OE2 3.98Å; R108-E307 PolarHBondContact NH1-OE2 3.29Å; Q303-E307 WeakPolarHBondContact O-CG 3.43Å; Q303-E307 PolarHBondContact O-N 3.25Å; E307-A311 PolarHBondContact O-N 3.06Å; E307-A311 VanDerWaalsContact O-N 3.15Å
308G96.8Very high97.3Very high5 Ų572.8 Ų72.85%0.05237%0.372CS..Hα-helixtrans-76-33.5-179.500000114.4S304 K305 H306 I312S304-G308 PolarHBondContact O-N 3.15Å; K305-G308 PolarHBondContact O-N 2.89Å; H306-G308 PolarHBondContact O-N 3.17Å; G308-I312 WeakPolarHBondContact O-CG1 3.43Å; G308-I312 PolarHBondContact O-N 3.02Å
309L98.2Very high97.2Very high83 Ų8375 Ų7544%0.43539%0.385SS..Hα-helixtrans-69.8-41.8172.3-67.4175.2000111.1K305 H306 A311 I312 E313K305-L309 HydrophobicContact CG-CD1 4.08Å; K305-L309 HydrophobicContact CG-CG 4.42Å; K305-L309 WeakPolarHBondContact O-CG 3.33Å; K305-L309 PolarHBondContact O-N 3.01Å; H306-L309 PolarHBondContact O-N 2.91Å; H306-L309 VanDerWaalsContact O-N 3.14Å; L309-A311 VanDerWaalsContact C-N 3.33Å; L309-A311 PolarHBondContact O-N 3.18Å; L309-I312 WeakPolarHBondContact O-CA 3.5Å; L309-I312 WeakPolarHBondContact O-CB 3.34Å; L309-I312 PolarHBondContact O-N 3.29Å; L309-E313 PolarHBondContact O-N 2.95Å
310D98Very high97Very high88 Ų8872.5 Ų72.547%0.47137%0.372SS..Hα-helixtrans-58.4-42.9174.6179.781.2000111.6H306 I312 E313 N314H306-D310 WeakPolarHBondContact O-CB 3.36Å; H306-D310 PolarHBondContact O-N 2.97Å; D310-I312 VanDerWaalsContact C-N 3.27Å; D310-I312 PolarHBondContact O-N 3.16Å; D310-E313 WeakPolarHBondContact O-CB 3.33Å; D310-E313 PolarHBondContact O-N 2.59Å; D310-N314 WeakPolarHBondContact O-CB 2.94Å; D310-N314 PolarHBondContact O-N 3.4Å
311A96.3Very high96.7Very high39 Ų3972 Ų7232%0.32238%0.381SS..Hα-helixtrans-62.3-32.3174.300000113.4E307 L309 A315E307-A311 PolarHBondContact O-N 3.06Å; E307-A311 VanDerWaalsContact O-N 3.15Å; L309-A311 VanDerWaalsContact C-N 3.33Å; L309-A311 PolarHBondContact O-N 3.18Å; A311-A315 PolarHBondContact O-N 3.28Å
312I97.8Very high96.4Very high27 Ų2775.7 Ų75.714%0.13840%0.404CS..Hα-helixtrans-74.3-44174.8-65.7164.5000110.1L101 L102 Q105 G308 L309 D310 N314 A315 V316L101-I312 HydrophobicContact CB-CG1 4.2Å; L102-I312 HydrophobicContact CD1-CD1 4.01Å; Q105-I312 HydrophobicContact CB-CD1 3.65Å; Q105-I312 HydrophobicContact CG-CD1 3.92Å; G308-I312 WeakPolarHBondContact O-CG1 3.43Å; G308-I312 PolarHBondContact O-N 3.02Å; L309-I312 WeakPolarHBondContact O-CA 3.5Å; L309-I312 WeakPolarHBondContact O-CB 3.34Å; L309-I312 PolarHBondContact O-N 3.29Å; D310-I312 VanDerWaalsContact C-N 3.27Å; D310-I312 PolarHBondContact O-N 3.16Å; I312-N314 VanDerWaalsContact C-N 3.35Å; I312-N314 PolarHBondContact O-N 2.92Å; I312-A315 WeakPolarHBondContact O-CB 3.46Å; I312-A315 PolarHBondContact O-N 2.92Å; I312-A315 VanDerWaalsContact O-N 3.08Å; I312-V316 HydrophobicContact CG2-CG2 4.33Å; I312-V316 WeakPolarHBondContact O-CG2 3.41Å; I312-V316 PolarHBondContact O-N 2.96Å
313E97.8Very high96.2Very high113 Ų11373.2 Ų73.253%0.52840%0.397SS..Hα-helixtrans-56-49.7176.6-175.5166.8-152.300110.7L309 D310 A315 V316 E317L309-E313 PolarHBondContact O-N 2.95Å; D310-E313 WeakPolarHBondContact O-CB 3.33Å; D310-E313 PolarHBondContact O-N 2.59Å; E313-A315 VanDerWaalsContact C-N 3.27Å; E313-A315 PolarHBondContact O-N 3.17Å; E313-V316 WeakPolarHBondContact O-CA 3.34Å; E313-V316 WeakPolarHBondContact O-CB 3.11Å; E313-V316 PolarHBondContact O-N 3.43Å; E313-E317 WeakPolarHBondContact O-CG 3.5Å; E313-E317 PolarHBondContact O-N 3.14Å
314N96.2Very high96Very high82 Ų8269.2 Ų69.244%0.43938%0.38SS..Hα-helixtrans-58.6-37.9174.7-171.1-91.4000112.7D310 I312 E317 N318D310-N314 WeakPolarHBondContact O-CB 2.94Å; D310-N314 PolarHBondContact O-N 3.4Å; I312-N314 VanDerWaalsContact C-N 3.35Å; I312-N314 PolarHBondContact O-N 2.92Å; N314-E317 PolarHBondContact O-N 3.24Å; N314-N318 WeakPolarHBondContact O-CB 3.48Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 2.93Å; N314-N318 VanDerWaalsContact O-N 3.12Å; N314-N318 PolarHBondContact O-ND2 3.2Å; N314-N318 PolarHBondContact OD1-ND2 2.98Å
315A94.8Very high95.7Very high2 Ų274.1 Ų74.12%0.01740%0.399CS..Hα-helixtrans-68.8-35176.100000112.7C98 L101 A311 I312 E313 N318C98-A315 VanDerWaalsContact SG-C 3.52Å; C98-A315 PolarHBondContact SG-O 3.21Å; L101-A315 HydrophobicContact CD1-CB 3.46Å; L101-A315 VanDerWaalsContact CD1-CB 3.46Å; A311-A315 PolarHBondContact O-N 3.28Å; I312-A315 WeakPolarHBondContact O-CB 3.46Å; I312-A315 PolarHBondContact O-N 2.92Å; I312-A315 VanDerWaalsContact O-N 3.08Å; E313-A315 VanDerWaalsContact C-N 3.27Å; E313-A315 PolarHBondContact O-N 3.17Å; A315-N318 PolarHBondContact O-N 3.1Å
316V97.3Very high95.4Very high77 Ų7776.1 Ų76.147%0.46741%0.409SS..Hα-helixtrans-67-42.6174.9170.70000110.8I312 E313 N318 L319I312-V316 HydrophobicContact CG2-CG2 4.33Å; I312-V316 WeakPolarHBondContact O-CG2 3.41Å; I312-V316 PolarHBondContact O-N 2.96Å; E313-V316 WeakPolarHBondContact O-CA 3.34Å; E313-V316 WeakPolarHBondContact O-CB 3.11Å; E313-V316 PolarHBondContact O-N 3.43Å; V316-N318 PolarHBondContact O-N 2.86Å; V316-L319 HydrophobicContact CG1-CD1 4.32Å; V316-L319 VanDerWaalsContact O-CB 3.31Å; V316-L319 WeakPolarHBondContact O-CB 3.26Å; V316-L319 WeakPolarHBondContact O-CD1 3.4Å; V316-L319 VanDerWaalsContact O-CG 3.28Å; V316-L319 WeakPolarHBondContact O-CG 3.4Å; V316-L319 PolarHBondContact O-N 2.92Å; V316-L319 VanDerWaalsContact O-N 3.15Å
317E96.1Very high94.9Very high138 Ų13873.2 Ų73.265%0.64539%0.393SS*.Hα-helixtrans-61.3-32174.1-69176.716400112.4E313 N314 L319E313-E317 WeakPolarHBondContact O-CG 3.5Å; E313-E317 PolarHBondContact O-N 3.14Å; N314-E317 PolarHBondContact O-N 3.24Å; E317-L319 VanDerWaalsContact C-N 3.27Å; E317-L319 PolarHBondContact O-N 3.05Å
318N94.3Very high94.6Very high96 Ų9672.2 Ų72.251%0.51339%0.39SS..THydrogen-bonded Turntrans-83.911.9177.9-71-44.7000114.3N314 A315 V316 D320N314-N318 WeakPolarHBondContact O-CB 3.48Å; N314-N318 VanDerWaalsContact O-CG 3.23Å; N314-N318 PolarHBondContact O-N 2.93Å; N314-N318 VanDerWaalsContact O-N 3.12Å; N314-N318 PolarHBondContact O-ND2 3.2Å; N314-N318 PolarHBondContact OD1-ND2 2.98Å; A315-N318 PolarHBondContact O-N 3.1Å; V316-N318 PolarHBondContact O-N 2.86Å; N318-D320 PolarHBondContact O-N 3.07Å
319L95.8Very high94.3Very high89 Ų8975.8 Ų75.847%0.46641%0.407SS..  trans-68.1108.9172.2-75171.9000110.5P95 V316 E317P95-L319 HydrophobicContact CB-CD2 4.28Å; P95-L319 HydrophobicContact CG-CD2 4.05Å; V316-L319 HydrophobicContact CG1-CD1 4.32Å; V316-L319 VanDerWaalsContact O-CB 3.31Å; V316-L319 WeakPolarHBondContact O-CB 3.26Å; V316-L319 WeakPolarHBondContact O-CD1 3.4Å; V316-L319 VanDerWaalsContact O-CG 3.28Å; V316-L319 WeakPolarHBondContact O-CG 3.4Å; V316-L319 PolarHBondContact O-N 2.92Å; V316-L319 VanDerWaalsContact O-N 3.15Å; E317-L319 VanDerWaalsContact C-N 3.27Å; E317-L319 PolarHBondContact O-N 3.05Å
320D93.7Very high93.8Very high64 Ų6477.1 Ų77.134%0.34241%0.411SS..  trans-135.3105.5-175.6-176.8-8000112.3S94 N318 T322 S323 D324S94-D320 PolarHBondContact OG-N 2.65Å; N318-D320 PolarHBondContact O-N 3.07Å; D320-T322 VanDerWaalsContact C-N 3.26Å; D320-T322 PolarHBondContact O-N 2.89Å; D320-T322 WeakPolarHBondContact OD1-CA 3.35Å; D320-T322 WeakPolarHBondContact OD1-CB 3.5Å; D320-T322 PolarHBondContact OD1-N 3.17Å; D320-T322 PolarHBondContact OD1-OG1 3.08Å; D320-T322 PolarHBondContact OD2-OG1 3.22Å; D320-S323 PolarHBondContact O-N 3.46Å; D320-S323 PolarHBondContact OD1-N 3.35Å; D320-S323 VanDerWaalsContact OD1-N 3.16Å; D320-S323 VanDerWaalsContact OD2-CB 3.31Å; D320-S323 WeakPolarHBondContact OD2-CB 3.33Å; D320-D324 WeakPolarHBondContact O-CB 3.38Å; D320-D324 PolarHBondContact O-N 3.01Å
321A92.6Very high93.3Very high82 Ų8275.8 Ų75.868%0.67840%0.402SS*.Hα-helixtrans-62.9-29.2177.900000113.5K325A321-K325 VanDerWaalsContact O-CB 3.24Å; A321-K325 WeakPolarHBondContact O-CB 3.44Å; A321-K325 PolarHBondContact O-N 3.06Å
322T92.4Very high92.9Very high90 Ų9079.1 Ų79.155%0.55241%0.407SS*.Hα-helixtrans-77.6-44.1-179.465.20000111.9D320 K325 Q326D320-T322 VanDerWaalsContact C-N 3.26Å; D320-T322 PolarHBondContact O-N 2.89Å; D320-T322 WeakPolarHBondContact OD1-CA 3.35Å; D320-T322 WeakPolarHBondContact OD1-CB 3.5Å; D320-T322 PolarHBondContact OD1-N 3.17Å; D320-T322 PolarHBondContact OD1-OG1 3.08Å; D320-T322 PolarHBondContact OD2-OG1 3.22Å; T322-K325 PolarHBondContact O-N 3.15Å; T322-Q326 PolarHBondContact O-N 2.88Å
323S92.3Very high92.5Very high47 Ų4782.4 Ų82.433%0.32943%0.425SS..Hα-helixtrans-61.4-44.9172-177.50000111.2D320 K325 Q326 R327D320-S323 PolarHBondContact O-N 3.46Å; D320-S323 PolarHBondContact OD1-N 3.35Å; D320-S323 VanDerWaalsContact OD1-N 3.16Å; D320-S323 VanDerWaalsContact OD2-CB 3.31Å; D320-S323 WeakPolarHBondContact OD2-CB 3.33Å; S323-K325 PolarHBondContact O-N 2.98Å; S323-Q326 PolarHBondContact O-N 2.86Å; S323-R327 WeakPolarHBondContact O-CB 3.33Å; S323-R327 PolarHBondContact O-N 2.97Å
324D93.5Very high92.2Very high24 Ų2484 Ų8413%0.12844%0.437CS..Hα-helixtrans-62.6-40.5176.2-79.2-27.3000112.6L93 S94 P95 D320 R327 L328L93-D324 VanDerWaalsContact CA-OD1 3.3Å; L93-D324 WeakPolarHBondContact CA-OD1 3.33Å; L93-D324 HydrophobicContact CD2-CB 4.04Å; S94-D324 WeakPolarHBondContact CB-OD2 3.49Å; S94-D324 PolarHBondContact N-OD1 3.16Å; S94-D324 PolarHBondContact N-OD2 3.09Å; S94-D324 PolarHBondContact OG-OD2 3.26Å; P95-D324 WeakPolarHBondContact CD-OD2 3.24Å; D320-D324 WeakPolarHBondContact O-CB 3.38Å; D320-D324 PolarHBondContact O-N 3.01Å; D324-R327 PolarHBondContact O-N 3.03Å; D324-L328 WeakPolarHBondContact O-CB 3.46Å; D324-L328 PolarHBondContact O-N 3.25Å
325K92.5Very high92.1Very high121 Ų12185.1 Ų85.153%0.52645%0.447SS..Hα-helixtrans-62.2-44.6173.9177.8-163.270.5-174.80111.3A321 T322 S323 L328 M329A321-K325 VanDerWaalsContact O-CB 3.24Å; A321-K325 WeakPolarHBondContact O-CB 3.44Å; A321-K325 PolarHBondContact O-N 3.06Å; T322-K325 PolarHBondContact O-N 3.15Å; S323-K325 PolarHBondContact O-N 2.98Å; K325-L328 WeakPolarHBondContact O-CB 3.43Å; K325-L328 PolarHBondContact O-N 3.49Å; K325-M329 HydrophobicContact CG-SD 4.36Å; K325-M329 WeakPolarHBondContact O-CG 3.3Å; K325-M329 PolarHBondContact O-N 3.19Å
326Q91.4Very high92Very high113 Ų11389.8 Ų89.853%0.52847%0.467SS..Hα-helixtrans-60.8-49.2177.6176.7173.8-7.700110.6T322 S323 L328 M329 E330T322-Q326 PolarHBondContact O-N 2.88Å; S323-Q326 PolarHBondContact O-N 2.86Å; Q326-L328 VanDerWaalsContact C-N 3.29Å; Q326-L328 PolarHBondContact O-N 3.48Å; Q326-M329 PolarHBondContact O-N 3.11Å; Q326-M329 VanDerWaalsContact O-N 3.1Å; Q326-E330 HydrophobicContact CG-CG 4.41Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.39Å; Q326-E330 PolarHBondContact NE2-OE1 3.26Å; Q326-E330 WeakPolarHBondContact O-CG 3.42Å; Q326-E330 PolarHBondContact O-N 2.83Å
327R88.8Confident91.8Very high66 Ų6689 Ų8925%0.24946%0.464CS..Hα-helixtrans-58.3-40.5176.7-169.2174.6-66.3-139.2-14112.3Q90 N91 V92 S323 D324 E330 M331Q90-R327 PolarHBondContact O-NH1 3.21Å; N91-R327 WeakPolarHBondContact OD1-CG 3.48Å; V92-R327 PolarHBondContact O-NH1 3.2Å; S323-R327 WeakPolarHBondContact O-CB 3.33Å; S323-R327 PolarHBondContact O-N 2.97Å; D324-R327 PolarHBondContact O-N 3.03Å; R327-E330 PolarHBondContact O-N 3.36Å; R327-M331 WeakPolarHBondContact O-CB 3.46Å; R327-M331 PolarHBondContact O-N 3.48Å
328L89.3Confident91.6Very high70 Ų7088 Ų8837%0.36647%0.47SS..Hα-helixtrans-62.5-45.9174.5-177.672.5000111.8D324 K325 Q326 M331 Y332D324-L328 WeakPolarHBondContact O-CB 3.46Å; D324-L328 PolarHBondContact O-N 3.25Å; K325-L328 WeakPolarHBondContact O-CB 3.43Å; K325-L328 PolarHBondContact O-N 3.49Å; Q326-L328 VanDerWaalsContact C-N 3.29Å; Q326-L328 PolarHBondContact O-N 3.48Å; L328-M331 HydrophobicContact CD1-CE 4.19Å; L328-M331 PolarHBondContact O-N 3.28Å; L328-Y332 HydrophobicContact CD1-CD2 3.68Å; L328-Y332 HydrophobicContact CD1-CE2 3.66Å; L328-Y332 HydrophobicContact CG-CD2 4.32Å; L328-Y332 WeakPolarHBondContact O-CD2 3.38Å; L328-Y332 PolarHBondContact O-N 2.6Å
329M91.8Very high91.5Very high81 Ų8189 Ų8940%0.39948%0.481SS..Hα-helixtrans-65.3-38.8178.9-71-178.670.900112K325 Q326 Y332 N333 F336K325-M329 HydrophobicContact CG-SD 4.36Å; K325-M329 WeakPolarHBondContact O-CG 3.3Å; K325-M329 PolarHBondContact O-N 3.19Å; Q326-M329 PolarHBondContact O-N 3.11Å; Q326-M329 VanDerWaalsContact O-N 3.1Å; M329-Y332 CarbonylContact O-C 3.52Å; M329-Y332 VanDerWaalsContact O-C 3.22Å; M329-N333 WeakPolarHBondContact O-CA 3.33Å; M329-N333 PolarHBondContact O-N 3.24Å; M329-F336 HydrophobicContact CB-CD2 4.23Å; M329-F336 HydrophobicContact CE-CB 4.1Å; M329-F336 HydrophobicContact CE-CG 4.47Å; M329-F336 HydrophobicContact CG-CD2 4.1Å; M329-F336 HydrophobicContact CG-CE2 4.42Å; M329-F336 HydrophobicContact CG-CG 4.2Å
330E88.4Confident91.4Very high111 Ų11193.3 Ų93.352%0.51950%0.501SS..Hα-helixtrans-67.5-45.5175.2-71.6170.8-17500111.8Q326 R327 Y332 N333Q326-E330 HydrophobicContact CG-CG 4.41Å; Q326-E330 WeakPolarHBondContact CG-OE1 3.39Å; Q326-E330 PolarHBondContact NE2-OE1 3.26Å; Q326-E330 WeakPolarHBondContact O-CG 3.42Å; Q326-E330 PolarHBondContact O-N 2.83Å; R327-E330 PolarHBondContact O-N 3.36Å; E330-Y332 VanDerWaalsContact C-N 3.25Å; E330-Y332 PolarHBondContact O-N 3.23Å; E330-N333 WeakPolarHBondContact O-CB 3.21Å; E330-N333 PolarHBondContact O-N 2.97Å
331M86.8Confident91.4Very high59 Ų5998.3 Ų98.329%0.29152%0.52SS..Hα-helixtrans-60.2-37177.7-178.1161.569.600112.1F86 R327 L328F86-M331 HydrophobicContact CD1-SD 4.14Å; F86-M331 HydrophobicContact CE1-CG 3.85Å; F86-M331 HydrophobicContact CE1-SD 3.35Å; F86-M331 WeakPolarHBondContact CE1-SD 3.38Å; F86-M331 HydrophobicContact CZ-CG 4.16Å; F86-M331 HydrophobicContact CZ-SD 3.77Å; R327-M331 WeakPolarHBondContact O-CB 3.46Å; R327-M331 PolarHBondContact O-N 3.48Å; L328-M331 HydrophobicContact CD1-CE 4.19Å; L328-M331 PolarHBondContact O-N 3.28Å
332Y87.2Confident91.5Very high110 Ų110103.6 Ų103.643%0.43153%0.528SS..THydrogen-bonded Turntrans-110.841.9176.2-62.1-75.4000112L328 M329 E330 N334 V335 F336L328-Y332 HydrophobicContact CD1-CD2 3.68Å; L328-Y332 HydrophobicContact CD1-CE2 3.66Å; L328-Y332 HydrophobicContact CG-CD2 4.32Å; L328-Y332 WeakPolarHBondContact O-CD2 3.38Å; L328-Y332 PolarHBondContact O-N 2.6Å; M329-Y332 CarbonylContact O-C 3.52Å; M329-Y332 VanDerWaalsContact O-C 3.22Å; E330-Y332 VanDerWaalsContact C-N 3.25Å; E330-Y332 PolarHBondContact O-N 3.23Å; Y332-N334 PolarHBondContact O-N 3.15Å; Y332-N334 VanDerWaalsContact O-N 3.11Å; Y332-V335 WeakPolarHBondContact O-CA 3.37Å; Y332-V335 VanDerWaalsContact O-CB 3.32Å; Y332-V335 WeakPolarHBondContact O-CB 3.41Å; Y332-V335 PolarHBondContact O-N 2.94Å; Y332-F336 WeakPolarHBondContact O-CD2 3.42Å; Y332-F336 PolarHBondContact O-N 2.96Å
333N89.4Confident91.6Very high95 Ų95105 Ų10551%0.50853%0.528SS..Hα-helixtrans-50.9-41.7-175.8178.951.8000113.3M329 E330 V335 F336 C337M329-N333 WeakPolarHBondContact O-CA 3.33Å; M329-N333 PolarHBondContact O-N 3.24Å; E330-N333 WeakPolarHBondContact O-CB 3.21Å; E330-N333 PolarHBondContact O-N 2.97Å; N333-V335 PolarHBondContact O-N 3.41Å; N333-F336 PolarHBondContact O-N 3.45Å; N333-C337 VanDerWaalsContact O-CB 3.3Å; N333-C337 WeakPolarHBondContact O-CB 3.44Å; N333-C337 PolarHBondContact O-N 3.38Å
334N91.2Very high91.7Very high146 Ų146108.3 Ų108.378%0.78154%0.537SS*.Hα-helixtrans-64.2-21.4179.2-62.4-13.8000113.8Y332Y332-N334 PolarHBondContact O-N 3.15Å; Y332-N334 VanDerWaalsContact O-N 3.11Å
335V93.9Very high91.7Very high107 Ų107114.2 Ų114.265%0.64856%0.564SS**Hα-helixtrans-82.9-36.3177.5-178.50000110.7Y332 N333Y332-V335 WeakPolarHBondContact O-CA 3.37Å; Y332-V335 VanDerWaalsContact O-CB 3.32Å; Y332-V335 WeakPolarHBondContact O-CB 3.41Å; Y332-V335 PolarHBondContact O-N 2.94Å; N333-V335 PolarHBondContact O-N 3.41Å
336F92.8Very high91.8Very high99 Ų99112 Ų11243%0.43456%0.562SS.*Hα-helixtrans-103.4-5.5-172.9-61.3-71.1000114.4M329 Y332 N333M329-F336 HydrophobicContact CB-CD2 4.23Å; M329-F336 HydrophobicContact CE-CB 4.1Å; M329-F336 HydrophobicContact CE-CG 4.47Å; M329-F336 HydrophobicContact CG-CD2 4.1Å; M329-F336 HydrophobicContact CG-CE2 4.42Å; M329-F336 HydrophobicContact CG-CG 4.2Å; Y332-F336 WeakPolarHBondContact O-CD2 3.42Å; Y332-F336 PolarHBondContact O-N 2.96Å; N333-F336 PolarHBondContact O-N 3.45Å
337C92.7Very high91.9Very high62 Ų62113.8 Ų113.842%0.41957%0.57SS.*PPolyproline II helixtrans-63.813318064.40000111.3N333N333-C337 VanDerWaalsContact O-CB 3.3Å; N333-C337 WeakPolarHBondContact O-CB 3.44Å; N333-C337 PolarHBondContact O-N 3.38Å
338P92.8Very high92Very high117 Ų117118.9 Ų118.976%0.7660%0.598SS**PPolyproline II helixtrans-65.5140.2178.826.7-33.4000110.8
339P92.6Very high92.1Very high115 Ų115118.2 Ų118.275%0.74761%0.609SS**PPolyproline II helixtrans-69.1163.5174.930.5-35.4000111.3
340M92.8Very high92.2Very high180 Ų180118.3 Ų118.389%0.88761%0.611SS**PPolyproline II helixtrans-60.1143.3173-68.1-166.9178.700111.2
341K94.6Very high92.3Very high170 Ų170121.8 Ų121.874%0.73963%0.629SS**PPolyproline II helixtrans-62.9137.9176.8-171.9-175.1172.6-1620110.1
342F94.1Very high92.4Very high192 Ų192121.5 Ų121.584%0.84264%0.636SS**PPolyproline II helixtrans-71.5131.5171.6-61.9-70.3000110.7
343E94.9Very high92.5Very high120 Ų120120.6 Ų120.656%0.56165%0.646SS**  trans-108.1148.5178.1-65.1-58.9152.200111.1Q345E343-Q345 PolarHBondContact O-N 2.75Å; E343-Q345 PolarHBondContact O-NE2 3.39Å
344F93.9Very high92.6Very high117 Ų117124.3 Ų124.351%0.51366%0.66SS.*  trans-59129172173-102.7000109.7P346 A352F344-P346 HydrophobicContact CD1-CG 4.25Å; F344-P346 HydrophobicContact CE1-CB 4.34Å; F344-P346 HydrophobicContact CE1-CG 4.1Å; F344-P346 WeakPolarHBondContact O-CD 3.4Å; F344-A352 VanDerWaalsContact CE1-O 3.26Å; F344-A352 WeakPolarHBondContact CE1-O 3.43Å
345Q94.9Very high92.6Very high148 Ų148120.5 Ų120.569%0.69264%0.64SS**  trans-104.6107.2-179.6-62.6-57.9-45.200109.3E343 H347E343-Q345 PolarHBondContact O-N 2.75Å; E343-Q345 PolarHBondContact O-NE2 3.39Å; Q345-H347 PolarHBondContact O-N 2.93Å
346P93.9Very high92.5Very high74 Ų74119.1 Ų119.148%0.48163%0.634SS.*  trans-60123178.6-2333.9000111F344 D350F344-P346 HydrophobicContact CD1-CG 4.25Å; F344-P346 HydrophobicContact CE1-CB 4.34Å; F344-P346 HydrophobicContact CE1-CG 4.1Å; F344-P346 WeakPolarHBondContact O-CD 3.4Å; P346-D350 HydrophobicContact CB-CB 4.46Å
347H93.6Very high92.4Very high151 Ų151115 Ų11570%0.69962%0.618SS**SBendtrans-87.8126.2178.2177.1-99.8000109.8Q345 G349 D350Q345-H347 PolarHBondContact O-N 2.93Å; H347-G349 VanDerWaalsContact C-N 3.25Å; H347-G349 PolarHBondContact O-N 3.11Å; H347-D350 WeakPolarHBondContact O-CB 3.41Å; H347-D350 PolarHBondContact O-N 3.49Å; H347-D350 VanDerWaalsContact O-N 3.13Å
348M90.3Very high92.1Very high172 Ų172119 Ų11985%0.84763%0.63SS**THydrogen-bonded Turntrans54.935.5175.3-60.5-71.6-91.800114.5
349G90.8Very high91.9Very high57 Ų57119.6 Ų119.659%0.58862%0.623SS**THydrogen-bonded Turntrans75.724.6178.800000114.2H347 M351H347-G349 VanDerWaalsContact C-N 3.25Å; H347-G349 PolarHBondContact O-N 3.11Å; G349-M351 PolarHBondContact O-N 3.28Å
350D95.1Very high91.7Very high82 Ų82118.8 Ų118.844%0.43962%0.618SS.*  trans-51.1124171.6-168-7000110.9P346 H347 A352P346-D350 HydrophobicContact CB-CB 4.46Å; H347-D350 WeakPolarHBondContact O-CB 3.41Å; H347-D350 PolarHBondContact O-N 3.49Å; H347-D350 VanDerWaalsContact O-N 3.13Å; D350-A352 VanDerWaalsContact C-N 3.34Å; D350-A352 WeakPolarHBondContact OD1-CB 3.48Å; D350-A352 PolarHBondContact OD1-N 3.09Å
351M89.8Confident91.6Very high185 Ų185113.1 Ų113.191%0.91159%0.593SS**  trans-84.7-12.8-179.6-62.5-65.4-156.200112.1G349G349-M351 PolarHBondContact O-N 3.28Å
352A90.1Very high91.4Very high53 Ų53107.4 Ų107.444%0.43857%0.569SS.*  trans-84.4129.3177.600000110.8F344 D350F344-A352 VanDerWaalsContact CE1-O 3.26Å; F344-A352 WeakPolarHBondContact CE1-O 3.43Å; D350-A352 VanDerWaalsContact C-N 3.34Å; D350-A352 WeakPolarHBondContact OD1-CB 3.48Å; D350-A352 PolarHBondContact OD1-N 3.09Å
353S88.6Confident91.2Very high91 Ų91101.4 Ų101.464%0.63655%0.551SS**  trans-128.45.8178.159.80000113.1
354Q91.3Very high91.2Very high172 Ų172102 Ų10280%0.80455%0.554SS**SBendtrans-137.5164.7-174.5-63.8-176.6-16.900110.3C356Q354-C356 PolarHBondContact O-N 3.48Å
355L92Very high91.2Very high67 Ų6798.3 Ų98.335%0.35154%0.539SS..  trans-64.3132.5176.5-73.3-179.6000111.1L472 L473 T476L355-L472 HydrophobicContact CD1-CD2 3.99Å; L355-L472 HydrophobicContact CD1-CG 3.7Å; L355-L472 HydrophobicContact CG-CD2 4.23Å; L355-L472 HydrophobicContact CG-CG 4.28Å; L355-L473 HydrophobicContact CD1-CD2 3.89Å; L355-L473 HydrophobicContact CD1-CG 4.46Å; L355-T476 HydrophobicContact CB-CG2 3.84Å
356C91.4Very high91.1Very high77 Ų7793.9 Ų93.952%0.5252%0.523SS..  trans-88.5113.2170.9-1770000109.9Q354 V361 L365Q354-C356 PolarHBondContact O-N 3.48Å; C356-V361 WeakPolarHBondContact O-CG2 3.43Å; C356-L365 WeakPolarHBondContact O-CD1 3.45Å
357A89.7Confident91.1Very high13 Ų1397.1 Ų97.111%0.10753%0.531CS..  trans-110.434.5179.300000113.1Q362 L365 T476 L477A357-Q362 WeakPolarHBondContact O-CB 3.48Å; A357-Q362 VanDerWaalsContact O-CG 3.29Å; A357-Q362 WeakPolarHBondContact O-CG 3.39Å; A357-L365 HydrophobicContact CB-CD1 4.34Å; A357-T476 HydrophobicContact CB-CG2 3.72Å; A357-L477 HydrophobicContact CB-CD2 4.15Å
358Q87.6Confident91.2Very high145 Ų14596.4 Ų96.468%0.67852%0.522SS*.  trans-87.4162.7175.3-63.5-178.3-2.200111.5V361 Q362Q358-V361 WeakPolarHBondContact O-CG2 3.48Å; Q358-V361 PolarHBondContact O-N 2.89Å; Q358-V361 VanDerWaalsContact O-N 3.17Å; Q358-Q362 PolarHBondContact O-N 3.25Å
359Q89.1Confident91.4Very high130 Ų13088.5 Ų88.561%0.60748%0.484SS*.THydrogen-bonded Turntrans-66.7140.3173.8-69.4-67.3-16.500110.6
360P86.6Confident91.5Very high98 Ų9892 Ų9264%0.63649%0.485SS*.THydrogen-bonded Turncis-89.1-14.29.334.4-35.3000115.4Q362 S363P360-Q362 PolarHBondContact O-N 3.47Å; P360-S363 PolarHBondContact O-N 3.09Å; P360-S363 PolarHBondContact O-OG 3.1Å
361V91.7Very high91.5Very high61 Ų6193.1 Ų93.137%0.3749%0.488SS..Hα-helixtrans-67.5-21.8-170.8-62.70000113.7C356 Q358 S363 E364 L365C356-V361 WeakPolarHBondContact O-CG2 3.43Å; Q358-V361 WeakPolarHBondContact O-CG2 3.48Å; Q358-V361 PolarHBondContact O-N 2.89Å; Q358-V361 VanDerWaalsContact O-N 3.17Å; V361-S363 VanDerWaalsContact C-N 3.29Å; V361-S363 PolarHBondContact O-N 3.41Å; V361-E364 PolarHBondContact O-N 3Å; V361-L365 WeakPolarHBondContact O-CG 3.45Å; V361-L365 PolarHBondContact O-N 2.98Å; V361-L365 VanDerWaalsContact O-N 3.08Å
362Q91.3Very high91.9Very high50 Ų5084.9 Ų84.923%0.23445%0.447CS..Hα-helixtrans-53.9-42.5178-167.9-177.732.900113.1A357 Q358 P360 L365 V366 L477A357-Q362 WeakPolarHBondContact O-CB 3.48Å; A357-Q362 VanDerWaalsContact O-CG 3.29Å; A357-Q362 WeakPolarHBondContact O-CG 3.39Å; Q358-Q362 PolarHBondContact O-N 3.25Å; P360-Q362 PolarHBondContact O-N 3.47Å; Q362-L365 PolarHBondContact O-N 3.47Å; Q362-V366 WeakPolarHBondContact O-CG2 3.44Å; Q362-V366 PolarHBondContact O-N 2.75Å; Q362-L477 HydrophobicContact CG-CD2 4.3Å
363S89.6Confident92.1Very high67 Ų6786.4 Ų86.447%0.46945%0.445SS..Hα-helixtrans-63.1-43.9-177.861.80000112.4P360 V361 V366 Q367P360-S363 PolarHBondContact O-N 3.09Å; P360-S363 PolarHBondContact O-OG 3.1Å; V361-S363 VanDerWaalsContact C-N 3.29Å; V361-S363 PolarHBondContact O-N 3.41Å; S363-V366 PolarHBondContact O-N 3.1Å; S363-Q367 PolarHBondContact O-N 3.29Å; S363-Q367 VanDerWaalsContact O-N 3.09Å
364E93.9Very high92.5Very high131 Ų13185.5 Ų85.561%0.61244%0.439SS*.Hα-helixtrans-65.2-40.5175.5-65.3-180-150.700111.6V361 Q367 R368V361-E364 PolarHBondContact O-N 3Å; E364-Q367 PolarHBondContact O-N 2.94Å; E364-R368 VanDerWaalsContact O-CB 3.27Å; E364-R368 WeakPolarHBondContact O-CB 3.36Å; E364-R368 PolarHBondContact O-N 2.83Å
365L93.3Very high92.8Very high40 Ų4083.8 Ų83.821%0.20943%0.425CS..Hα-helixtrans-65.4-39.2177.5-66178.7000112.1C356 A357 V361 Q362 R368 C369 L473 L477C356-L365 WeakPolarHBondContact O-CD1 3.45Å; A357-L365 HydrophobicContact CB-CD1 4.34Å; V361-L365 WeakPolarHBondContact O-CG 3.45Å; V361-L365 PolarHBondContact O-N 2.98Å; V361-L365 VanDerWaalsContact O-N 3.08Å; Q362-L365 PolarHBondContact O-N 3.47Å; L365-R368 PolarHBondContact O-N 2.89Å; L365-C369 WeakPolarHBondContact O-CB 3.49Å; L365-C369 PolarHBondContact O-N 3.29Å; L365-L473 HydrophobicContact CB-CD2 4.3Å; L365-L473 HydrophobicContact CD2-CD2 3.76Å; L365-L473 HydrophobicContact CG-CD2 4.46Å; L365-L477 HydrophobicContact CB-CD1 4.34Å; L365-L477 HydrophobicContact CB-CD2 4.2Å
366V92.9Very high93.1Very high56 Ų5680.6 Ų80.634%0.33941%0.408SS..Hα-helixtrans-62.9-48174.2171.10000110.9Q362 S363 R368 C369 Q370 L477Q362-V366 WeakPolarHBondContact O-CG2 3.44Å; Q362-V366 PolarHBondContact O-N 2.75Å; S363-V366 PolarHBondContact O-N 3.1Å; V366-R368 VanDerWaalsContact C-N 3.29Å; V366-R368 PolarHBondContact O-N 2.82Å; V366-C369 WeakPolarHBondContact O-CB 3.25Å; V366-C369 PolarHBondContact O-N 2.89Å; V366-Q370 WeakPolarHBondContact O-CG 3.29Å; V366-Q370 PolarHBondContact O-N 3.29Å; V366-L477 HydrophobicContact CG2-CD1 4.06Å; V366-L477 HydrophobicContact CG2-CD2 3.84Å; V366-L477 HydrophobicContact CG2-CG 4.47Å
367Q93.9Very high93.3Very high141 Ų14179.6 Ų79.666%0.65940%0.402SS*.Hα-helixtrans-61.2-40.9177.3-169.5-179.310.500111.2S363 E364 Q370 Q371S363-Q367 PolarHBondContact O-N 3.29Å; S363-Q367 VanDerWaalsContact O-N 3.09Å; E364-Q367 PolarHBondContact O-N 2.94Å; Q367-Q370 PolarHBondContact O-N 3.19Å; Q367-Q371 WeakPolarHBondContact O-CB 3.49Å; Q367-Q371 PolarHBondContact O-N 3.37Å
368R96Very high93.7Very high136 Ų13683.4 Ų83.451%0.51342%0.424SS..Hα-helixtrans-63.9-40.7176.6-168.865.5170.3-175.5-7.3112.1E364 L365 V366 Q371 L372 L473E364-R368 VanDerWaalsContact O-CB 3.27Å; E364-R368 WeakPolarHBondContact O-CB 3.36Å; E364-R368 PolarHBondContact O-N 2.83Å; L365-R368 PolarHBondContact O-N 2.89Å; V366-R368 VanDerWaalsContact C-N 3.29Å; V366-R368 PolarHBondContact O-N 2.82Å; R368-Q371 VanDerWaalsContact NH1-OE1 3.12Å; R368-Q371 PolarHBondContact O-N 3.2Å; R368-L372 HydrophobicContact CG-CD1 4.39Å; R368-L372 WeakPolarHBondContact O-CG 3.3Å; R368-L372 PolarHBondContact O-N 3.05Å; R368-L473 HydrophobicContact CG-CD1 4.23Å
369C94.4Very high94.2Very high7 Ų777.8 Ų77.85%0.04740%0.399CS..Hα-helixtrans-62.2-47.2177.5-160.10000111L365 V366 Q371 L372 Q373 L473 Q474 L477L365-C369 WeakPolarHBondContact O-CB 3.49Å; L365-C369 PolarHBondContact O-N 3.29Å; V366-C369 WeakPolarHBondContact O-CB 3.25Å; V366-C369 PolarHBondContact O-N 2.89Å; C369-Q371 PolarHBondContact O-N 3.39Å; C369-L372 PolarHBondContact O-N 3.37Å; C369-Q373 PolarHBondContact O-N 3.49Å; C369-L473 HydrophobicContact CB-CB 4.28Å; C369-Q474 PolarHBondContact SG-OE1 2.93Å; C369-L477 HydrophobicContact CB-CD1 3.78Å
370Q93.4Very high94.5Very high129 Ų12975.9 Ų75.960%0.60339%0.389SS*.Hα-helixtrans-62.8-41.2176.3-68.3173.3-300112.3V366 Q367 Q373 S374V366-Q370 WeakPolarHBondContact O-CG 3.29Å; V366-Q370 PolarHBondContact O-N 3.29Å; Q367-Q370 PolarHBondContact O-N 3.19Å; Q370-Q373 PolarHBondContact O-N 3.04Å; Q370-S374 PolarHBondContact O-N 2.76Å; Q370-S374 PolarHBondContact O-OG 2.98Å
371Q95.9Very high95.1Very high107 Ų10776.4 Ų76.450%0.539%0.385SS..Hα-helixtrans-63.6-39.4176-172.5-178.740.400112.4Q367 R368 C369 S374 R375Q367-Q371 WeakPolarHBondContact O-CB 3.49Å; Q367-Q371 PolarHBondContact O-N 3.37Å; R368-Q371 VanDerWaalsContact NH1-OE1 3.12Å; R368-Q371 PolarHBondContact O-N 3.2Å; C369-Q371 PolarHBondContact O-N 3.39Å; Q371-S374 PolarHBondContact O-OG 3.49Å; Q371-R375 WeakPolarHBondContact O-CB 3.49Å; Q371-R375 PolarHBondContact O-N 3.43Å
372L96.6Very high95.3Very high12 Ų1278.4 Ų78.46%0.06339%0.39CS..Hα-helixtrans-67.4-42.1175.3-73.9170.5000111.2R368 C369 R375 L376 L466 K469 H470 L473R368-L372 HydrophobicContact CG-CD1 4.39Å; R368-L372 WeakPolarHBondContact O-CG 3.3Å; R368-L372 PolarHBondContact O-N 3.05Å; C369-L372 PolarHBondContact O-N 3.37Å; L372-R375 PolarHBondContact O-N 3.2Å; L372-L376 VanDerWaalsContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CB 3.48Å; L372-L376 WeakPolarHBondContact O-CD1 3.4Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.16Å; L372-L376 PolarHBondContact O-N 2.86Å; L372-L466 HydrophobicContact CD2-CB 4.33Å; L372-L466 HydrophobicContact CD2-CD2 3.79Å; L372-K469 HydrophobicContact CD1-CB 4.16Å; L372-H470 HydrophobicContact CB-CB 4.16Å; L372-H470 HydrophobicContact CD1-CB 4.39Å; L372-L473 HydrophobicContact CD1-CD1 3.7Å
373Q95.7Very high95.6Very high84 Ų8476.7 Ų76.739%0.39338%0.382SS..Hα-helixtrans-61.4-48.9179.3-179.260.511.600111.8C369 Q370 R375 L376 S377 H470C369-Q373 PolarHBondContact O-N 3.49Å; Q370-Q373 PolarHBondContact O-N 3.04Å; Q373-R375 PolarHBondContact O-N 2.97Å; Q373-L376 PolarHBondContact O-N 3.39Å; Q373-S377 PolarHBondContact O-N 3.01Å; Q373-S377 PolarHBondContact O-OG 3.48Å; Q373-S377 VanDerWaalsContact O-OG 3.12Å; Q373-H470 PolarHBondContact OE1-CE1 3.02Å; Q373-H470 VanDerWaalsContact OE1-CE1 3.31Å; Q373-H470 PolarHBondContact OE1-NE2 2.98Å; Q373-H470 VanDerWaalsContact OE1-NE2 3.15Å
374S96.1Very high96Very high72 Ų7277.5 Ų77.550%0.50338%0.379SS..Hα-helixtrans-63-44179.461.90000111.9Q370 Q371 S377 T378Q370-S374 PolarHBondContact O-N 2.76Å; Q370-S374 PolarHBondContact O-OG 2.98Å; Q371-S374 PolarHBondContact O-OG 3.49Å; S374-S377 PolarHBondContact O-N 3.14Å; S374-T378 PolarHBondContact O-N 3.21Å; S374-T378 PolarHBondContact O-OG1 3.13Å
375R97.4Very high96.2Very high136 Ų13677 Ų7751%0.51338%0.377SS..Hα-helixtrans-64.3-40.2176.8-174.8173.8-178.7169.42.3112.6Q371 L372 Q373 T378 L379 L466Q371-R375 WeakPolarHBondContact O-CB 3.49Å; Q371-R375 PolarHBondContact O-N 3.43Å; L372-R375 PolarHBondContact O-N 3.2Å; Q373-R375 PolarHBondContact O-N 2.97Å; R375-T378 PolarHBondContact O-N 3.3Å; R375-L379 HydrophobicContact CG-CD1 4.01Å; R375-L379 HydrophobicContact CG-CG 4.47Å; R375-L379 WeakPolarHBondContact O-CG 3.45Å; R375-L379 PolarHBondContact O-N 3.32Å; R375-L466 HydrophobicContact CG-CD1 4.26Å
376L97.8Very high96.4Very high0 Ų075.7 Ų75.70%037%0.37CS..Hα-helixtrans-63.4-41.3176.9-84.7165000111.6L372 Q373 T378 L379 K380 I463 L466 Q467 H470L372-L376 VanDerWaalsContact O-CB 3.24Å; L372-L376 WeakPolarHBondContact O-CB 3.48Å; L372-L376 WeakPolarHBondContact O-CD1 3.4Å; L372-L376 VanDerWaalsContact O-CG 3.27Å; L372-L376 WeakPolarHBondContact O-CG 3.16Å; L372-L376 PolarHBondContact O-N 2.86Å; Q373-L376 PolarHBondContact O-N 3.39Å; L376-T378 PolarHBondContact O-N 2.84Å; L376-L379 PolarHBondContact O-N 2.81Å; L376-K380 WeakPolarHBondContact O-CB 3.43Å; L376-K380 VanDerWaalsContact O-CG 3.26Å; L376-K380 WeakPolarHBondContact O-CG 3.46Å; L376-K380 PolarHBondContact O-N 3.43Å; L376-I463 HydrophobicContact CD2-CG2 4.1Å; L376-L466 HydrophobicContact CD1-CB 4.42Å; L376-L466 HydrophobicContact CD2-CB 3.78Å; L376-L466 HydrophobicContact CG-CB 4.04Å; L376-Q467 HydrophobicContact CD1-CB 4.44Å; L376-Q467 HydrophobicContact CD2-CB 4.14Å; L376-H470 HydrophobicContact CD1-CB 3.7Å
377S96.8Very high96.7Very high56 Ų5675.5 Ų75.539%0.39237%0.365SS..Hα-helixtrans-58-47.2176.3-62.90000111.6Q373 S374 I381Q373-S377 PolarHBondContact O-N 3.01Å; Q373-S377 PolarHBondContact O-OG 3.48Å; Q373-S377 VanDerWaalsContact O-OG 3.12Å; S374-S377 PolarHBondContact O-N 3.14Å; S377-I381 WeakPolarHBondContact O-CG1 3.46Å; S377-I381 PolarHBondContact O-N 3.07Å
378T97.4Very high96.9Very high93 Ų9375.3 Ų75.357%0.57136%0.362SS*.Hα-helixtrans-63-50177.7-51.40000112.1S374 R375 L376 K380 I381 E382S374-T378 PolarHBondContact O-N 3.21Å; S374-T378 PolarHBondContact O-OG1 3.13Å; R375-T378 PolarHBondContact O-N 3.3Å; L376-T378 PolarHBondContact O-N 2.84Å; T378-K380 VanDerWaalsContact C-N 3.3Å; T378-K380 PolarHBondContact O-N 3.4Å; T378-I381 PolarHBondContact O-N 3.17Å; T378-E382 PolarHBondContact O-N 3.28Å; T378-E382 VanDerWaalsContact O-N 3.1Å
379L97.5Very high97Very high27 Ų2771.5 Ų71.514%0.14135%0.354CS..Hα-helixtrans-63-35.8-178.6-72.1172.3000112.5R375 L376 N383 L462 I463 L466R375-L379 HydrophobicContact CG-CD1 4.01Å; R375-L379 HydrophobicContact CG-CG 4.47Å; R375-L379 WeakPolarHBondContact O-CG 3.45Å; R375-L379 PolarHBondContact O-N 3.32Å; L376-L379 PolarHBondContact O-N 2.81Å; L379-N383 WeakPolarHBondContact O-CB 3.31Å; L379-N383 PolarHBondContact O-N 3.49Å; L379-L462 HydrophobicContact CD1-CD2 3.69Å; L379-L462 HydrophobicContact CD1-CG 3.94Å; L379-L462 HydrophobicContact CD2-CD2 4.16Å; L379-I463 HydrophobicContact CB-CD1 4.32Å; L379-I463 HydrophobicContact CB-CG1 3.87Å; L379-L466 HydrophobicContact CD1-CD1 3.76Å
380K97.3Very high97.2Very high91 Ų9171.9 Ų71.940%0.39636%0.355SS..Hα-helixtrans-64.7-40.7177-78.5176.6179.7178.50111.9L376 T378 E384 I463L376-K380 WeakPolarHBondContact O-CB 3.43Å; L376-K380 VanDerWaalsContact O-CG 3.26Å; L376-K380 WeakPolarHBondContact O-CG 3.46Å; L376-K380 PolarHBondContact O-N 3.43Å; T378-K380 VanDerWaalsContact C-N 3.3Å; T378-K380 PolarHBondContact O-N 3.4Å; K380-E384 WeakPolarHBondContact O-CB 3.44Å; K380-E384 WeakPolarHBondContact O-CG 3.39Å; K380-E384 PolarHBondContact O-N 2.89Å; K380-I463 HydrophobicContact CG-CD1 4.29Å; K380-I463 HydrophobicContact CG-CG2 4.25Å
381I97.4Very high97.4Very high108 Ų10870 Ų7055%0.55435%0.346SS*.Hα-helixtrans-64.8-52.8177.8-65.7166.3000109.9S377 T378 N383 E384 E385S377-I381 WeakPolarHBondContact O-CG1 3.46Å; S377-I381 PolarHBondContact O-N 3.07Å; T378-I381 PolarHBondContact O-N 3.17Å; I381-N383 VanDerWaalsContact C-N 3.34Å; I381-N383 PolarHBondContact O-N 3.4Å; I381-E384 PolarHBondContact O-N 3.45Å; I381-E385 PolarHBondContact O-N 2.7Å; I381-E385 VanDerWaalsContact O-N 3.11Å
382E97.4Very high97.4Very high104 Ų10467.7 Ų67.749%0.48635%0.345SS..Hα-helixtrans-56-47178-177.2-177.3-179.200111.6T378 E384 E385 V386T378-E382 PolarHBondContact O-N 3.28Å; T378-E382 VanDerWaalsContact O-N 3.1Å; E382-E384 VanDerWaalsContact C-N 3.34Å; E382-E384 PolarHBondContact O-N 3.49Å; E382-E385 WeakPolarHBondContact O-CB 3.45Å; E382-E385 PolarHBondContact O-N 3.28Å; E382-V386 WeakPolarHBondContact O-CG2 3.47Å; E382-V386 PolarHBondContact O-N 3.09Å; E382-V386 VanDerWaalsContact O-N 3.13Å
383N97.8Very high97.5Very high13 Ų1367.8 Ų67.87%0.0735%0.346CS..Hα-helixtrans-69.6-29.3-178.5-166.484000113.2L379 I381 K387 Y456 G459 R460 I463L379-N383 WeakPolarHBondContact O-CB 3.31Å; L379-N383 PolarHBondContact O-N 3.49Å; I381-N383 VanDerWaalsContact C-N 3.34Å; I381-N383 PolarHBondContact O-N 3.4Å; N383-K387 VanDerWaalsContact O-CB 3.32Å; N383-K387 WeakPolarHBondContact O-CB 3.39Å; N383-K387 PolarHBondContact O-N 3.45Å; N383-Y456 VanDerWaalsContact ND2-CD2 3.35Å; N383-Y456 WeakPolarHBondContact ND2-CD2 3.42Å; N383-Y456 VanDerWaalsContact ND2-CE2 3.25Å; N383-Y456 WeakPolarHBondContact ND2-CE2 3.41Å; N383-Y456 PolarHBondContact OD1-O 3.04Å; N383-Y456 VanDerWaalsContact OD1-O 3.06Å; N383-G459 VanDerWaalsContact OD1-CA 3.31Å; N383-G459 WeakPolarHBondContact OD1-CA 3.39Å; N383-R460 PolarHBondContact OD1-N 3.32Å; N383-R460 VanDerWaalsContact OD1-N 3.17Å; N383-I463 HydrophobicContact CB-CD1 3.58Å
384E97.8Very high97.6Very high84 Ų8466.9 Ų66.939%0.39334%0.344SS..Hα-helixtrans-70.3-33.3172.2-80-62.5136.600112K380 I381 E382 K387 K388K380-E384 WeakPolarHBondContact O-CB 3.44Å; K380-E384 WeakPolarHBondContact O-CG 3.39Å; K380-E384 PolarHBondContact O-N 2.89Å; I381-E384 PolarHBondContact O-N 3.45Å; E382-E384 VanDerWaalsContact C-N 3.34Å; E382-E384 PolarHBondContact O-N 3.49Å; E384-K387 PolarHBondContact O-N 3.03Å; E384-K387 IonicContact OE1-NZ 3.16Å; E384-K387 IonicContact OE2-NZ 2.65Å; E384-K388 WeakPolarHBondContact O-CG 3.48Å; E384-K388 PolarHBondContact O-N 3.04Å
385E97.8Very high97.6Very high121 Ų12168.6 Ų68.657%0.56534%0.344SS*.Hα-helixtrans-65.8-44.3173.1-68.1175.217800111.7I381 E382 K387 K388 T389I381-E385 PolarHBondContact O-N 2.7Å; I381-E385 VanDerWaalsContact O-N 3.11Å; E382-E385 WeakPolarHBondContact O-CB 3.45Å; E382-E385 PolarHBondContact O-N 3.28Å; E385-K387 VanDerWaalsContact C-N 3.32Å; E385-K387 PolarHBondContact O-N 3.01Å; E385-K388 PolarHBondContact O-N 2.76Å; E385-T389 PolarHBondContact O-N 2.91Å; E385-T389 PolarHBondContact O-OG1 3.45Å
386V98.1Very high97.6Very high12 Ų1265.2 Ų65.27%0.07334%0.338CS..Hα-helixtrans-61.9-42.4174.4-179.10000110.7E382 T389 M390 K452 E455E382-V386 WeakPolarHBondContact O-CG2 3.47Å; E382-V386 PolarHBondContact O-N 3.09Å; E382-V386 VanDerWaalsContact O-N 3.13Å; V386-T389 PolarHBondContact O-N 2.95Å; V386-M390 WeakPolarHBondContact O-CB 3.28Å; V386-M390 PolarHBondContact O-N 3.48Å; V386-K452 HydrophobicContact CG1-CD 4.26Å; V386-E455 HydrophobicContact CG1-CB 3.97Å; V386-E455 HydrophobicContact CG1-CG 3.91Å; V386-E455 HydrophobicContact CG2-CG 4.1Å; V386-E455 WeakPolarHBondContact CG2-OE1 3.41Å
387K97.9Very high97.6Very high52 Ų5266.1 Ų66.123%0.22634%0.343CS..Hα-helixtrans-59.6-49.6176.7-177.9-175.7161.7-162.20111.8N383 E384 E385 T389 M390 E391 Y456N383-K387 VanDerWaalsContact O-CB 3.32Å; N383-K387 WeakPolarHBondContact O-CB 3.39Å; N383-K387 PolarHBondContact O-N 3.45Å; E384-K387 PolarHBondContact O-N 3.03Å; E384-K387 IonicContact OE1-NZ 3.16Å; E384-K387 IonicContact OE2-NZ 2.65Å; E385-K387 VanDerWaalsContact C-N 3.32Å; E385-K387 PolarHBondContact O-N 3.01Å; K387-T389 VanDerWaalsContact C-N 3.29Å; K387-T389 PolarHBondContact O-N 2.76Å; K387-M390 WeakPolarHBondContact O-CB 3.49Å; K387-M390 PolarHBondContact O-N 2.92Å; K387-M390 VanDerWaalsContact O-N 3.14Å; K387-E391 WeakPolarHBondContact CE-OE1 3.29Å; K387-E391 HydrophobicContact CG-CG 4.36Å; K387-E391 IonicContact NZ-OE1 2.77Å; K387-E391 WeakPolarHBondContact O-CB 3.18Å; K387-E391 WeakPolarHBondContact O-CG 3.23Å; K387-E391 PolarHBondContact O-N 2.82Å; K387-Y456 HydrophobicContact CB-CD2 3.76Å; K387-Y456 HydrophobicContact CB-CE2 3.73Å; K387-Y456 HydrophobicContact CD-CE2 3.96Å; K387-Y456 HydrophobicContact CG-CD2 4.29Å; K387-Y456 HydrophobicContact CG-CE2 3.87Å
388K98.1Very high97.5Very high138 Ų13867.8 Ų67.860%0.635%0.345SS*.Hα-helixtrans-58.3-41.8177-74.8176.5-179.6-179.90112.1E384 E385 E391 A392E384-K388 WeakPolarHBondContact O-CG 3.48Å; E384-K388 PolarHBondContact O-N 3.04Å; E385-K388 PolarHBondContact O-N 2.76Å; K388-E391 PolarHBondContact O-N 2.73Å; K388-A392 WeakPolarHBondContact O-CB 3.39Å; K388-A392 PolarHBondContact O-N 2.98Å
389T98.1Very high97.4Very high56 Ų5667.8 Ų67.834%0.34434%0.341SS..Hα-helixtrans-63.2-43.1176.8-53.40000111.4E385 V386 K387 T393 F448 K452E385-T389 PolarHBondContact O-N 2.91Å; E385-T389 PolarHBondContact O-OG1 3.45Å; V386-T389 PolarHBondContact O-N 2.95Å; K387-T389 VanDerWaalsContact C-N 3.29Å; K387-T389 PolarHBondContact O-N 2.76Å; T389-T393 WeakPolarHBondContact O-CB 3.43Å; T389-T393 PolarHBondContact O-N 3.05Å; T389-T393 PolarHBondContact O-OG1 3.05Å; T389-F448 HydrophobicContact CG2-CE1 3.95Å; T389-F448 HydrophobicContact CG2-CZ 4.03Å; T389-K452 HydrophobicContact CG2-CD 4.02Å; T389-K452 HydrophobicContact CG2-CG 4.2Å
390M98.3Very high97.2Very high14 Ų1468.5 Ų68.57%0.06935%0.345CS..Hα-helixtrans-65-45177.2-178.4-16672.100111.9V386 K387 T393 L394 Y449 K452 M453 Y456V386-M390 WeakPolarHBondContact O-CB 3.28Å; V386-M390 PolarHBondContact O-N 3.48Å; K387-M390 WeakPolarHBondContact O-CB 3.49Å; K387-M390 PolarHBondContact O-N 2.92Å; K387-M390 VanDerWaalsContact O-N 3.14Å; M390-T393 PolarHBondContact O-N 3.03Å; M390-L394 WeakPolarHBondContact O-CB 3.37Å; M390-L394 PolarHBondContact O-N 3.46Å; M390-Y449 HydrophobicContact CG-CD2 3.88Å; M390-Y449 HydrophobicContact CG-CE2 3.64Å; M390-Y449 HydrophobicContact SD-CE2 4.46Å; M390-K452 HydrophobicContact CB-CB 4.05Å; M390-K452 HydrophobicContact CG-CB 4.48Å; M390-M453 HydrophobicContact CE-CE 4.19Å; M390-M453 HydrophobicContact CG-CB 4.46Å; M390-M453 VanDerWaalsContact SD-CA 3.58Å; M390-M453 HydrophobicContact SD-CB 3.89Å; M390-M453 HydrophobicContact SD-CE 3.49Å; M390-M453 WeakPolarHBondContact SD-CE 3.28Å; M390-M453 HydrophobicContact SD-CG 4.35Å; M390-M453 HydrophobicContact SD-SD 3.59Å; M390-Y456 HydrophobicContact CE-CD1 4.16Å; M390-Y456 HydrophobicContact CE-CE1 4.43Å; M390-Y456 HydrophobicContact CE-CG 4.44Å; M390-Y456 HydrophobicContact SD-CD1 4.13Å; M390-Y456 HydrophobicContact SD-CG 4.31Å
391E97.3Very high97Very high91 Ų9167.8 Ų67.843%0.42535%0.348SS..Hα-helixtrans-65-42.6178.5-73.5173.3169.100111.6K387 K388 T393 L394 Q395K387-E391 WeakPolarHBondContact CE-OE1 3.29Å; K387-E391 HydrophobicContact CG-CG 4.36Å; K387-E391 IonicContact NZ-OE1 2.77Å; K387-E391 WeakPolarHBondContact O-CB 3.18Å; K387-E391 WeakPolarHBondContact O-CG 3.23Å; K387-E391 PolarHBondContact O-N 2.82Å; K388-E391 PolarHBondContact O-N 2.73Å; E391-T393 VanDerWaalsContact C-N 3.34Å; E391-T393 PolarHBondContact O-N 3.32Å; E391-L394 WeakPolarHBondContact O-CB 3.39Å; E391-L394 PolarHBondContact O-N 3.37Å; E391-Q395 PolarHBondContact O-N 2.87Å
392A97.9Very high96.8Very high58 Ų5867.2 Ų67.248%0.47935%0.349SS..Hα-helixtrans-62-41.5173.900000112.1K388 Q395 T396K388-A392 WeakPolarHBondContact O-CB 3.39Å; K388-A392 PolarHBondContact O-N 2.98Å; A392-Q395 WeakPolarHBondContact O-CB 3.41Å; A392-Q395 PolarHBondContact O-N 2.98Å; A392-T396 PolarHBondContact O-N 2.89Å; A392-T396 PolarHBondContact O-OG1 2.72Å
393T97.6Very high96.5Very high13 Ų1364.9 Ų64.98%0.0834%0.342CS..Hα-helixtrans-65.5-39.8176.2-49.50000111.3T389 M390 E391 Q395 T396 I397 T445 F448T389-T393 WeakPolarHBondContact O-CB 3.43Å; T389-T393 PolarHBondContact O-N 3.05Å; T389-T393 PolarHBondContact O-OG1 3.05Å; M390-T393 PolarHBondContact O-N 3.03Å; E391-T393 VanDerWaalsContact C-N 3.34Å; E391-T393 PolarHBondContact O-N 3.32Å; T393-Q395 VanDerWaalsContact C-N 3.32Å; T393-Q395 PolarHBondContact O-N 3.49Å; T393-T396 WeakPolarHBondContact O-CB 3.43Å; T393-T396 PolarHBondContact O-N 2.55Å; T393-I397 WeakPolarHBondContact O-CG1 3.46Å; T393-I397 PolarHBondContact O-N 2.75Å; T393-T445 HydrophobicContact CG2-CG2 3.78Å; T393-F448 HydrophobicContact CG2-CD1 3.86Å
394L97.5Very high96.2Very high65 Ų6572 Ų7234%0.3438%0.375SS..Hα-helixtrans-61.5-42.2174.7-179.260.7000111.2M390 E391 T396 I397 Q398 Y449M390-L394 WeakPolarHBondContact O-CB 3.37Å; M390-L394 PolarHBondContact O-N 3.46Å; E391-L394 WeakPolarHBondContact O-CB 3.39Å; E391-L394 PolarHBondContact O-N 3.37Å; L394-T396 VanDerWaalsContact C-N 3.33Å; L394-T396 PolarHBondContact O-N 3.38Å; L394-I397 PolarHBondContact O-N 3.41Å; L394-Q398 WeakPolarHBondContact O-CG 3.25Å; L394-Q398 PolarHBondContact O-N 2.77Å; L394-Y449 HydrophobicContact CB-CD2 4.11Å; L394-Y449 HydrophobicContact CB-CE2 3.78Å; L394-Y449 HydrophobicContact CD1-CE2 4.05Å; L394-Y449 HydrophobicContact CD2-CE2 4.43Å; L394-Y449 HydrophobicContact CG-CE2 4.31Å
395Q96.9Very high95.7Very high108 Ų10871.9 Ų71.951%0.50538%0.377SS..Hα-helixtrans-59.7-44.8175.2-172.159.951.200111.2E391 A392 T393 I397 Q398 D399E391-Q395 PolarHBondContact O-N 2.87Å; A392-Q395 WeakPolarHBondContact O-CB 3.41Å; A392-Q395 PolarHBondContact O-N 2.98Å; T393-Q395 VanDerWaalsContact C-N 3.32Å; T393-Q395 PolarHBondContact O-N 3.49Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.68Å; Q395-Q398 WeakPolarHBondContact O-CB 3.38Å; Q395-Q398 PolarHBondContact O-N 2.89Å; Q395-Q398 VanDerWaalsContact O-N 3.08Å; Q395-D399 PolarHBondContact NE2-OD1 3.42Å; Q395-D399 PolarHBondContact O-N 3Å
396T96.9Very high95.2Very high65 Ų6573.5 Ų73.540%0.39938%0.383SS..Hα-helixtrans-59.7-39.7175.1-54.20000112.4A392 T393 L394 Q398 D399 I400 T445A392-T396 PolarHBondContact O-N 2.89Å; A392-T396 PolarHBondContact O-OG1 2.72Å; T393-T396 WeakPolarHBondContact O-CB 3.43Å; T393-T396 PolarHBondContact O-N 2.55Å; L394-T396 VanDerWaalsContact C-N 3.33Å; L394-T396 PolarHBondContact O-N 3.38Å; T396-Q398 VanDerWaalsContact C-N 3.34Å; T396-D399 PolarHBondContact O-N 3.28Å; T396-I400 HydrophobicContact CG2-CD1 4.09Å; T396-I400 WeakPolarHBondContact O-CD1 3.47Å; T396-I400 VanDerWaalsContact O-CG1 3.23Å; T396-I400 WeakPolarHBondContact O-CG1 3.22Å; T396-I400 PolarHBondContact O-N 3.32Å; T396-I400 VanDerWaalsContact O-N 3.09Å; T396-T445 HydrophobicContact CG2-CG2 4.19Å
397I97Very high94.8Very high20 Ų2078.6 Ų78.610%0.10341%0.409CS..Hα-helixtrans-63.4-43.1174.9-66.5165.9000110.3T393 L394 Q395 I400 V401 T445 E446 Y449T393-I397 WeakPolarHBondContact O-CG1 3.46Å; T393-I397 PolarHBondContact O-N 2.75Å; L394-I397 PolarHBondContact O-N 3.41Å; Q395-I397 VanDerWaalsContact C-N 3.3Å; Q395-I397 PolarHBondContact O-N 2.68Å; I397-I400 PolarHBondContact O-N 3.49Å; I397-V401 HydrophobicContact CG2-CG1 4.5Å; I397-V401 WeakPolarHBondContact O-CG2 3.46Å; I397-V401 PolarHBondContact O-N 2.92Å; I397-V401 VanDerWaalsContact O-N 3.07Å; I397-T445 HydrophobicContact CD1-CG2 4.45Å; I397-T445 HydrophobicContact CG1-CG2 3.83Å; I397-E446 HydrophobicContact CD1-CG 4.04Å; I397-E446 HydrophobicContact CG1-CG 4.34Å; I397-Y449 HydrophobicContact CD1-CD1 4.43Å; I397-Y449 HydrophobicContact CD1-CG 3.97Å
398Q95.6Very high94.4Very high90 Ų9080.1 Ų80.142%0.42142%0.423SS..Hα-helixtrans-59.8-49.2176.6-66.6-67.532.100111.4L394 Q395 T396 I400 V401 T402L394-Q398 WeakPolarHBondContact O-CG 3.25Å; L394-Q398 PolarHBondContact O-N 2.77Å; Q395-Q398 WeakPolarHBondContact O-CB 3.38Å; Q395-Q398 PolarHBondContact O-N 2.89Å; Q395-Q398 VanDerWaalsContact O-N 3.08Å; T396-Q398 VanDerWaalsContact C-N 3.34Å; Q398-I400 PolarHBondContact O-N 3.04Å; Q398-V401 WeakPolarHBondContact O-CG2 3.2Å; Q398-V401 PolarHBondContact O-N 3.41Å; Q398-T402 WeakPolarHBondContact O-CG2 3.42Å; Q398-T402 PolarHBondContact O-N 2.96Å; Q398-T402 PolarHBondContact O-OG1 3.43Å
399D94.8Very high93.8Very high93 Ų9376.7 Ų76.750%0.49742%0.416SS..Hα-helixtrans-57.6-34.4177.9-56.2-19.6000112.1Q395 T396Q395-D399 PolarHBondContact NE2-OD1 3.42Å; Q395-D399 PolarHBondContact O-N 3Å; T396-D399 PolarHBondContact O-N 3.28Å
400I93.8Very high93.1Very high43 Ų4378.4 Ų78.422%0.22142%0.423CS..Hα-helixtrans-70.2-41.3176.7-69.4161.9000111.9T396 I397 Q398 V403 Q442T396-I400 HydrophobicContact CG2-CD1 4.09Å; T396-I400 WeakPolarHBondContact O-CD1 3.47Å; T396-I400 VanDerWaalsContact O-CG1 3.23Å; T396-I400 WeakPolarHBondContact O-CG1 3.22Å; T396-I400 PolarHBondContact O-N 3.32Å; T396-I400 VanDerWaalsContact O-N 3.09Å; I397-I400 PolarHBondContact O-N 3.49Å; Q398-I400 PolarHBondContact O-N 3.04Å; I400-V403 WeakPolarHBondContact O-CG1 3.36Å; I400-Q442 HydrophobicContact CG2-CB 4.24Å; I400-Q442 HydrophobicContact CG2-CG 4.04Å
401V93.1Very high92.3Very high76 Ų7681 Ų8146%0.46144%0.442SS..Hα-helixtrans-90.1-16-172.8-57.40000113.9I397 Q398I397-V401 HydrophobicContact CG2-CG1 4.5Å; I397-V401 WeakPolarHBondContact O-CG2 3.46Å; I397-V401 PolarHBondContact O-N 2.92Å; I397-V401 VanDerWaalsContact O-N 3.07Å; Q398-V401 WeakPolarHBondContact O-CG2 3.2Å; Q398-V401 PolarHBondContact O-N 3.41Å
402T92.3Very high91.6Very high95 Ų9583.5 Ų83.558%0.58345%0.452SS*.THydrogen-bonded Turntrans-97.518.6176.364.30000113.2Q398 E404Q398-T402 WeakPolarHBondContact O-CG2 3.42Å; Q398-T402 PolarHBondContact O-N 2.96Å; Q398-T402 PolarHBondContact O-OG1 3.43Å; T402-E404 PolarHBondContact O-N 2.84Å
403V93Very high91Very high55 Ų5587.2 Ų87.233%0.33346%0.459SS..  trans-63.2132.817463.20000110.3I400 D405I400-V403 WeakPolarHBondContact O-CG1 3.36Å; V403-D405 VanDerWaalsContact C-N 3.34Å; V403-D405 HydrophobicContact CG1-CB 4.47Å; V403-D405 PolarHBondContact O-N 3.47Å
404E90.4Very high90Very high164 Ų16494.7 Ų94.777%0.76649%0.487SS*.  trans-82.973.6179.6-62.8-178.1152.200111T402 F406T402-E404 PolarHBondContact O-N 2.84Å; E404-F406 HydrophobicContact CB-CE1 3.92Å; E404-F406 HydrophobicContact CB-CZ 4.24Å; E404-F406 HydrophobicContact CG-CE1 4.06Å; E404-F406 HydrophobicContact CG-CZ 4.31Å
405D88Confident88.3Confident80 Ų8096.8 Ų96.843%0.42851%0.507SS..  trans-107.224.6-177.668.7-10.7000114.5V403 F429V403-D405 VanDerWaalsContact C-N 3.34Å; V403-D405 HydrophobicContact CG1-CB 4.47Å; V403-D405 PolarHBondContact O-N 3.47Å; D405-F429 HydrophobicContact CB-CE1 4.24Å
406F87Confident86.2Confident156 Ų156100.1 Ų100.168%0.68453%0.529SS*.  trans-99.7-11.1-178.453.9-99.2000115E404 V408E404-F406 HydrophobicContact CB-CE1 3.92Å; E404-F406 HydrophobicContact CB-CZ 4.24Å; E404-F406 HydrophobicContact CG-CE1 4.06Å; E404-F406 HydrophobicContact CG-CZ 4.31Å; F406-V408 PolarHBondContact O-N 3.16Å
407D89.3Confident83.9Confident119 Ų119101 Ų10164%0.63654%0.537SS*.  trans-70.6123173.9-171.7-13.1000110.6S409D407-S409 VanDerWaalsContact OD1-CB 3.23Å; D407-S409 WeakPolarHBondContact OD1-CB 3.38Å; D407-S409 PolarHBondContact OD1-N 2.77Å; D407-S409 PolarHBondContact OD1-OG 3.29Å
408V89.4Confident81.6Confident83 Ų83109.7 Ų109.750%0.50358%0.58SS.*  trans-120.618.6-177.7-64.50000112.7F406 D410 C411 F412F406-V408 PolarHBondContact O-N 3.16Å; V408-D410 PolarHBondContact O-N 3.02Å; V408-D410 VanDerWaalsContact O-N 3.17Å; V408-C411 VanDerWaalsContact O-CB 3.23Å; V408-C411 WeakPolarHBondContact O-CB 3.18Å; V408-C411 PolarHBondContact O-N 3.09Å; V408-F412 HydrophobicContact CG2-CE2 4.21Å
409S86.6Confident79.1Confident67 Ų67113.1 Ų113.147%0.46960%0.596SS.*G310 helixtrans-53.8-37.6-177.2-62.10000112.9D407 C411 F412D407-S409 VanDerWaalsContact OD1-CB 3.23Å; D407-S409 WeakPolarHBondContact OD1-CB 3.38Å; D407-S409 PolarHBondContact OD1-N 2.77Å; D407-S409 PolarHBondContact OD1-OG 3.29Å; S409-C411 PolarHBondContact O-N 2.96Å; S409-F412 PolarHBondContact O-N 3.36Å
410D82.3Confident76.7Confident91 Ų91113.2 Ų113.249%0.48760%0.604SS.*G310 helixtrans-61.1-23.9177.1-72.4-11.6000113.4V408 F412 Q413 V425V408-D410 PolarHBondContact O-N 3.02Å; V408-D410 VanDerWaalsContact O-N 3.17Å; D410-F412 PolarHBondContact O-N 3.04Å; D410-Q413 PolarHBondContact O-N 3.17Å; D410-Q413 PolarHBondContact OD1-NE2 3.42Å; D410-V425 HydrophobicContact CB-CG1 3.95Å; D410-V425 HydrophobicContact CB-CG2 4.25Å
411C82.5Confident74.4Confident69 Ų69118.1 Ų118.147%0.46664%0.635SS.*G310 helixtrans-70.5-17.4176.4-63.90000113.1V408 S409 Y414V408-C411 VanDerWaalsContact O-CB 3.23Å; V408-C411 WeakPolarHBondContact O-CB 3.18Å; V408-C411 PolarHBondContact O-N 3.09Å; S409-C411 PolarHBondContact O-N 2.96Å; C411-Y414 PolarHBondContact O-OH 3Å
412F82.5Confident72.1Confident144 Ų144122.9 Ų122.963%0.63265%0.65SS**G310 helixtrans-103.83.2-179.6-63-88.7000112.9V408 S409 D410 Y414V408-F412 HydrophobicContact CG2-CE2 4.21Å; S409-F412 PolarHBondContact O-N 3.36Å; D410-F412 PolarHBondContact O-N 3.04Å; F412-Y414 WeakPolarHBondContact O-CD2 3.48Å; F412-Y414 PolarHBondContact O-N 3.48Å
413Q84.6Confident69.9Low135 Ų135121.9 Ų121.963%0.63165%0.647SS**  trans-84.690.7173.4-67.4175.729.600110.5D410D410-Q413 PolarHBondContact O-N 3.17Å; D410-Q413 PolarHBondContact OD1-NE2 3.42Å
414Y77.4Confident67.5Low170 Ų170125.8 Ų125.867%0.66767%0.671SS**  trans-90.5108.2172.4-51.7-68.1000109.6C411 F412C411-Y414 PolarHBondContact O-OH 3Å; F412-Y414 WeakPolarHBondContact O-CD2 3.48Å; F412-Y414 PolarHBondContact O-N 3.48Å
415S61.1Low65.5Low109 Ų109121.7 Ų121.776%0.76266%0.657SS**  trans-63.2138.4165.3-72.10000109.3S417S415-S417 PolarHBondContact O-N 3.06Å
416N52.5Low63.5Low179 Ų179120.5 Ų120.596%0.95766%0.655SS**SBendtrans-61.610.5-177-80.2-25.9000116
417S48Very low61.5Low83 Ų83121.2 Ų121.258%0.5866%0.661SS**  trans-91.2117.2175.4-162.20000109.9S415 E419S415-S417 PolarHBondContact O-N 3.06Å; S417-E419 PolarHBondContact O-N 3.2Å
418M48.5Very low59.8Low202 Ų202122.1 Ų122.1100%0.99567%0.67SS**  trans-68.74.7177-118.8173.4-173.800113.8
419E43.4Very low57.9Low163 Ų163123.2 Ų123.276%0.76267%0.669SS**SBendtrans-97.3118.2174.9-81.5-176.5150.600111.2S417S417-E419 PolarHBondContact O-N 3.2Å
420S44.3Very low56.3Low94 Ų94124.8 Ų124.866%0.65767%0.67SS**  trans71.684.1162.1176.60000116.5K422S420-K422 PolarHBondContact O-N 3.24Å; S420-K422 PolarHBondContact OG-N 3.15Å
421V46.2Very low55.2Low146 Ų146122.4 Ų122.489%0.88566%0.66SS**  trans-69.244.3155-1640000110.9
422K44.2Very low54.2Low176 Ų176128 Ų12877%0.76568%0.677SS**  trans-98.782.9162.7-80.8-175.3174.3178.90108.2S420 T424S420-K422 PolarHBondContact O-N 3.24Å; S420-K422 PolarHBondContact OG-N 3.15Å; K422-T424 PolarHBondContact O-N 2.9Å
423S46.9Very low53.2Low75 Ų75126 Ų12652%0.52468%0.678SS.*  trans44.864.4130.8-171.60000116.4V425 S426S423-V425 PolarHBondContact O-N 3.17Å; S423-S426 PolarHBondContact OG-OG 3.25Å; S423-S426 VanDerWaalsContact OG-OG 3.04Å
424T43.2Very low52.8Low137 Ų137121.1 Ų121.184%0.8466%0.659SS**THydrogen-bonded Turntrans-73.3-10.8168.4-12.10000112.9K422K422-T424 PolarHBondContact O-N 2.9Å
425V46.9Very low52.9Low78 Ų78117.1 Ų117.147%0.47365%0.649SS.*THydrogen-bonded Turntrans-88.5-7.6-171.8-171.20000113.2D410 S423D410-V425 HydrophobicContact CB-CG1 3.95Å; D410-V425 HydrophobicContact CB-CG2 4.25Å; S423-V425 PolarHBondContact O-N 3.17Å
426S46.8Very low54.1Low55 Ų55114.7 Ų114.739%0.38564%0.635SS.*SBendtrans-106.40.1-168.7-52.20000116.7S423 T428S423-S426 PolarHBondContact OG-OG 3.25Å; S423-S426 VanDerWaalsContact OG-OG 3.04Å; S426-T428 PolarHBondContact O-N 3.17Å
427E45.9Very low55.9Low171 Ų171114.2 Ų114.280%0.79962%0.624SS**SBendtrans-83.5-12.5-163.4-77.2-164.115700117
428T52.3Low57.8Low137 Ų137114.9 Ų114.984%0.8461%0.614SS**SBendtrans-121.5-42.3-175.65.20000115.9S426S426-T428 PolarHBondContact O-N 3.17Å
429F48.9Very low59.8Low106 Ų106113.2 Ų113.247%0.46560%0.597SS.*SBendtrans-95.8-39.6-174.2-165.2-110.3000113.5D405 S434 R438D405-F429 HydrophobicContact CB-CE1 4.24Å; F429-S434 PolarHBondContact O-OG 3.15Å; F429-S434 VanDerWaalsContact O-OG 3.09Å; F429-R438 VanDerWaalsContact CE1-NH1 3.33Å
430M53.7Low62.2Low100 Ų100107.5 Ų107.549%0.49358%0.577SS.*SBendtrans-101.617.9-170.6-66.2-65.5-162.800114.5
431S59.9Low64.6Low41 Ų41107.1 Ų107.129%0.28757%0.568SS.*  trans-64.6137.8176.882.10000111P433 S434 I435S431-P433 VanDerWaalsContact C-N 3.26Å; S431-P433 VanDerWaalsContact O-N 3.14Å; S431-S434 PolarHBondContact N-OG 3.16Å; S431-S434 PolarHBondContact O-N 3.28Å; S431-S434 PolarHBondContact O-OG 2.68Å; S431-S434 VanDerWaalsContact OG-CB 3.29Å; S431-S434 WeakPolarHBondContact OG-CB 3.49Å; S431-S434 PolarHBondContact OG-N 2.94Å; S431-S434 PolarHBondContact OG-OG 2.96Å; S431-I435 PolarHBondContact O-N 2.9Å
432K61.8Low67Low186 Ų186102.6 Ų102.681%0.80954%0.537SS*.Hα-helixtrans-52-34.6179.4-74-177.4177.3178.10114.4I435 A436K432-I435 WeakPolarHBondContact O-CG2 3.26Å; K432-A436 PolarHBondContact O-N 2.89Å
433P60.6Low69.5Low102 Ų10299.1 Ų99.166%0.66252%0.524SS*.Hα-helixtrans-73.6-36.9173.7-20.134.3000114S431 K437S431-P433 VanDerWaalsContact C-N 3.26Å; S431-P433 VanDerWaalsContact O-N 3.14Å; P433-K437 PolarHBondContact O-N 3.21Å
434S75.3Confident71.9Confident34 Ų34102 Ų10224%0.23853%0.529CS..Hα-helixtrans-70.1-38.9179.461.40000112.1F429 S431 K437 R438F429-S434 PolarHBondContact O-OG 3.15Å; F429-S434 VanDerWaalsContact O-OG 3.09Å; S431-S434 PolarHBondContact N-OG 3.16Å; S431-S434 PolarHBondContact O-N 3.28Å; S431-S434 PolarHBondContact O-OG 2.68Å; S431-S434 VanDerWaalsContact OG-CB 3.29Å; S431-S434 WeakPolarHBondContact OG-CB 3.49Å; S431-S434 PolarHBondContact OG-N 2.94Å; S431-S434 PolarHBondContact OG-OG 2.96Å; S434-K437 PolarHBondContact O-N 2.66Å; S434-R438 PolarHBondContact O-N 2.99Å; S434-R438 VanDerWaalsContact O-N 3.09Å
435I81.4Confident74.5Confident86 Ų8696.5 Ų96.544%0.44150%0.495SS..Hα-helixtrans-67.3-39.3178.8-156.8165.6000112.2S431 K432 K437 R438 R439S431-I435 PolarHBondContact O-N 2.9Å; K432-I435 WeakPolarHBondContact O-CG2 3.26Å; I435-K437 PolarHBondContact O-N 2.85Å; I435-R438 PolarHBondContact O-N 3.24Å; I435-R439 WeakPolarHBondContact O-CB 3.29Å; I435-R439 PolarHBondContact O-N 3.22Å
436A86.3Confident76.9Confident57 Ų5795.8 Ų95.847%0.47149%0.486SS..Hα-helixtrans-65.2-39.8177.500000111.6K432 R439 A440K432-A436 PolarHBondContact O-N 2.89Å; A436-R439 PolarHBondContact O-N 3.46Å; A436-A440 WeakPolarHBondContact O-CB 3.47Å; A436-A440 PolarHBondContact O-N 3.35Å
437K89.6Confident79.3Confident169 Ų16999.3 Ų99.374%0.73550%0.497SS*.Hα-helixtrans-65.8-44.8177.2-171178.6-179.7-176.90112.1P433 S434 I435 R439 A440 N441P433-K437 PolarHBondContact O-N 3.21Å; S434-K437 PolarHBondContact O-N 2.66Å; I435-K437 PolarHBondContact O-N 2.85Å; K437-R439 VanDerWaalsContact C-N 3.35Å; K437-A440 PolarHBondContact O-N 3.11Å; K437-N441 PolarHBondContact O-N 2.97Å; K437-N441 VanDerWaalsContact O-N 3.1Å
438R86.8Confident81.8Confident97 Ų9795.6 Ų95.637%0.36648%0.478SS..Hα-helixtrans-59.1-46.2174.5-75.3179.466-156.9-2.5111.4F429 S434 I435 A440 N441 Q442F429-R438 VanDerWaalsContact CE1-NH1 3.33Å; S434-R438 PolarHBondContact O-N 2.99Å; S434-R438 VanDerWaalsContact O-N 3.09Å; I435-R438 PolarHBondContact O-N 3.24Å; R438-A440 PolarHBondContact O-N 2.85Å; R438-N441 PolarHBondContact O-N 2.99Å; R438-Q442 PolarHBondContact O-N 3.43Å
439R91.9Very high84.1Confident168 Ų16890.8 Ų90.863%0.63445%0.445SS*.Hα-helixtrans-62.5-41178.7-169.2177.4-173.8-168.22.1113I435 A436 K437 Q442 Q443I435-R439 WeakPolarHBondContact O-CB 3.29Å; I435-R439 PolarHBondContact O-N 3.22Å; A436-R439 PolarHBondContact O-N 3.46Å; K437-R439 VanDerWaalsContact C-N 3.35Å; R439-Q442 PolarHBondContact O-N 3.49Å; R439-Q443 WeakPolarHBondContact O-CG 3.28Å; R439-Q443 PolarHBondContact O-N 2.86Å
440A93.8Very high86.4Confident42 Ų4292 Ų9235%0.34745%0.45SS..Hα-helixtrans-62.2-44.3175.900000111.4A436 K437 R438 Q442 Q443 E444A436-A440 WeakPolarHBondContact O-CB 3.47Å; A436-A440 PolarHBondContact O-N 3.35Å; K437-A440 PolarHBondContact O-N 3.11Å; R438-A440 PolarHBondContact O-N 2.85Å; A440-Q442 PolarHBondContact O-N 2.74Å; A440-Q443 PolarHBondContact O-N 2.89Å; A440-E444 WeakPolarHBondContact O-CG 3.37Å; A440-E444 PolarHBondContact O-N 3.16Å
441N95.1Very high88.5Confident87 Ų8790.7 Ų90.747%0.46545%0.448SS..Hα-helixtrans-63.2-40.6177.3178.7-107.8000112.6K437 R438 E444 T445K437-N441 PolarHBondContact O-N 2.97Å; K437-N441 VanDerWaalsContact O-N 3.1Å; R438-N441 PolarHBondContact O-N 2.99Å; N441-E444 PolarHBondContact O-N 3.18Å; N441-T445 WeakPolarHBondContact O-CB 3.49Å; N441-T445 PolarHBondContact O-N 2.81Å; N441-T445 PolarHBondContact O-OG1 2.76Å
442Q95.3Very high90.4Very high51 Ų5190.7 Ų90.724%0.23844%0.443CS..Hα-helixtrans-58.2-49.4172.9-178.7-174.4-4.500111.1I400 R438 R439 A440 E444 T445 E446I400-Q442 HydrophobicContact CG2-CB 4.24Å; I400-Q442 HydrophobicContact CG2-CG 4.04Å; R438-Q442 PolarHBondContact O-N 3.43Å; R439-Q442 PolarHBondContact O-N 3.49Å; A440-Q442 PolarHBondContact O-N 2.74Å; Q442-E444 PolarHBondContact O-N 3.29Å; Q442-T445 WeakPolarHBondContact O-CB 3.48Å; Q442-T445 PolarHBondContact O-N 3.45Å; Q442-T445 VanDerWaalsContact O-N 3.12Å; Q442-E446 HydrophobicContact CG-CG 4.47Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.3Å; Q442-E446 PolarHBondContact NE2-OE1 3.07Å; Q442-E446 WeakPolarHBondContact O-CG 3.35Å; Q442-E446 PolarHBondContact O-N 3.32Å
443Q96.8Very high92.1Very high103 Ų10384 Ų8448%0.48142%0.415SS..Hα-helixtrans-61.8-40.6-179.9-72.7177.5-4.600112.9R439 A440 T445 E446 Q447R439-Q443 WeakPolarHBondContact O-CG 3.28Å; R439-Q443 PolarHBondContact O-N 2.86Å; A440-Q443 PolarHBondContact O-N 2.89Å; Q443-T445 VanDerWaalsContact C-N 3.31Å; Q443-T445 PolarHBondContact O-N 3.12Å; Q443-E446 PolarHBondContact O-N 2.78Å; Q443-Q447 VanDerWaalsContact O-CB 3.31Å; Q443-Q447 WeakPolarHBondContact O-CB 3.2Å; Q443-Q447 PolarHBondContact O-N 3.26Å
444E97.9Very high93.9Very high135 Ų13585.5 Ų85.563%0.63141%0.411SS*.Hα-helixtrans-62.5-40.1174.6-73.4173.517900111.6A440 N441 Q442 Q447 F448A440-E444 WeakPolarHBondContact O-CG 3.37Å; A440-E444 PolarHBondContact O-N 3.16Å; N441-E444 PolarHBondContact O-N 3.18Å; Q442-E444 PolarHBondContact O-N 3.29Å; E444-Q447 PolarHBondContact O-N 3.35Å; E444-F448 PolarHBondContact O-N 2.84Å
445T97.3Very high95Very high22 Ų2287.4 Ų87.414%0.13542%0.416CS..Hα-helixtrans-67-45.2178.1-52.50000111.5T393 T396 I397 N441 Q442 Q443 Q447 F448 Y449T393-T445 HydrophobicContact CG2-CG2 3.78Å; T396-T445 HydrophobicContact CG2-CG2 4.19Å; I397-T445 HydrophobicContact CD1-CG2 4.45Å; I397-T445 HydrophobicContact CG1-CG2 3.83Å; N441-T445 WeakPolarHBondContact O-CB 3.49Å; N441-T445 PolarHBondContact O-N 2.81Å; N441-T445 PolarHBondContact O-OG1 2.76Å; Q442-T445 WeakPolarHBondContact O-CB 3.48Å; Q442-T445 PolarHBondContact O-N 3.45Å; Q442-T445 VanDerWaalsContact O-N 3.12Å; Q443-T445 VanDerWaalsContact C-N 3.31Å; Q443-T445 PolarHBondContact O-N 3.12Å; T445-Q447 VanDerWaalsContact C-N 3.35Å; T445-Q447 PolarHBondContact O-N 2.89Å; T445-F448 PolarHBondContact O-N 3.45Å; T445-Y449 PolarHBondContact O-N 2.78Å
446E97.9Very high95.8Very high63 Ų6384.6 Ų84.629%0.29440%0.4SS..Hα-helixtrans-59.8-44.1173.7-72.3170.8-179.700111.5I397 Q442 Q443 F448 Y449 F450I397-E446 HydrophobicContact CD1-CG 4.04Å; I397-E446 HydrophobicContact CG1-CG 4.34Å; Q442-E446 HydrophobicContact CG-CG 4.47Å; Q442-E446 WeakPolarHBondContact CG-OE1 3.3Å; Q442-E446 PolarHBondContact NE2-OE1 3.07Å; Q442-E446 WeakPolarHBondContact O-CG 3.35Å; Q442-E446 PolarHBondContact O-N 3.32Å; Q443-E446 PolarHBondContact O-N 2.78Å; E446-F448 VanDerWaalsContact C-N 3.31Å; E446-F448 PolarHBondContact O-N 2.96Å; E446-Y449 WeakPolarHBondContact O-CB 3.35Å; E446-Y449 PolarHBondContact O-N 2.84Å; E446-F450 VanDerWaalsContact O-CD2 3.24Å; E446-F450 WeakPolarHBondContact O-CD2 3.42Å; E446-F450 PolarHBondContact O-N 2.91Å
447Q98.1Very high96.3Very high128 Ų12885.5 Ų85.560%0.59840%0.397SS*.Hα-helixtrans-62-40177.5-175.16149.400111.8Q443 E444 T445 T451Q443-Q447 VanDerWaalsContact O-CB 3.31Å; Q443-Q447 WeakPolarHBondContact O-CB 3.2Å; Q443-Q447 PolarHBondContact O-N 3.26Å; E444-Q447 PolarHBondContact O-N 3.35Å; T445-Q447 VanDerWaalsContact C-N 3.35Å; T445-Q447 PolarHBondContact O-N 2.89Å; Q447-T451 PolarHBondContact O-N 3.25Å; Q447-T451 VanDerWaalsContact O-N 3.1Å; Q447-T451 PolarHBondContact O-OG1 2.96Å
448F98.5Very high96.7Very high93 Ų9383 Ų8341%0.40839%0.388SS..Hα-helixtrans-66-42.6174.3-176-109.7000111.9T389 T393 E444 T445 E446 F450 T451 K452T389-F448 HydrophobicContact CG2-CE1 3.95Å; T389-F448 HydrophobicContact CG2-CZ 4.03Å; T393-F448 HydrophobicContact CG2-CD1 3.86Å; E444-F448 PolarHBondContact O-N 2.84Å; T445-F448 PolarHBondContact O-N 3.45Å; E446-F448 VanDerWaalsContact C-N 3.31Å; E446-F448 PolarHBondContact O-N 2.96Å; F448-F450 PolarHBondContact O-N 2.77Å; F448-T451 WeakPolarHBondContact O-CB 3.42Å; F448-T451 PolarHBondContact O-N 2.92Å; F448-K452 HydrophobicContact CD1-CG 4.49Å; F448-K452 HydrophobicContact CE1-CG 4.05Å; F448-K452 HydrophobicContact CE2-CG 4.23Å; F448-K452 HydrophobicContact CZ-CD 4.29Å; F448-K452 HydrophobicContact CZ-CG 3.91Å; F448-K452 PolarHBondContact O-N 3.46Å
449Y98.6Very high97.2Very high37 Ų3779.2 Ų79.215%0.14538%0.379CS..Hα-helixtrans-55.7-50.4174.2168.9-100.5000111.9M390 L394 I397 T445 E446 T451 K452 M453M390-Y449 HydrophobicContact CG-CD2 3.88Å; M390-Y449 HydrophobicContact CG-CE2 3.64Å; M390-Y449 HydrophobicContact SD-CE2 4.46Å; L394-Y449 HydrophobicContact CB-CD2 4.11Å; L394-Y449 HydrophobicContact CB-CE2 3.78Å; L394-Y449 HydrophobicContact CD1-CE2 4.05Å; L394-Y449 HydrophobicContact CD2-CE2 4.43Å; L394-Y449 HydrophobicContact CG-CE2 4.31Å; I397-Y449 HydrophobicContact CD1-CD1 4.43Å; I397-Y449 HydrophobicContact CD1-CG 3.97Å; T445-Y449 PolarHBondContact O-N 2.78Å; E446-Y449 WeakPolarHBondContact O-CB 3.35Å; E446-Y449 PolarHBondContact O-N 2.84Å; Y449-T451 VanDerWaalsContact C-N 3.27Å; Y449-T451 PolarHBondContact O-N 3.06Å; Y449-K452 PolarHBondContact O-N 2.85Å; Y449-K452 VanDerWaalsContact O-N 3.15Å; Y449-M453 HydrophobicContact CE1-CE 4.37Å; Y449-M453 HydrophobicContact CE2-CE 4.26Å; Y449-M453 WeakPolarHBondContact O-CB 3.42Å; Y449-M453 PolarHBondContact O-N 3.39Å; Y449-M453 WeakPolarHBondContact OH-CE 3.37Å
450F98.3Very high97.5Very high131 Ų13177.5 Ų77.558%0.57537%0.372SS*.Hα-helixtrans-64.4-33.1178.9-80.4-69.7000112.9E446 F448 K454E446-F450 VanDerWaalsContact O-CD2 3.24Å; E446-F450 WeakPolarHBondContact O-CD2 3.42Å; E446-F450 PolarHBondContact O-N 2.91Å; F448-F450 PolarHBondContact O-N 2.77Å; F450-K454 WeakPolarHBondContact O-CB 3.29Å; F450-K454 PolarHBondContact O-N 3Å
451T98.4Very high97.7Very high73 Ų7379.9 Ų79.945%0.44838%0.379SS..Hα-helixtrans-61.3-46.9173.2-570000110.6Q447 F448 Y449 K454 E455Q447-T451 PolarHBondContact O-N 3.25Å; Q447-T451 VanDerWaalsContact O-N 3.1Å; Q447-T451 PolarHBondContact O-OG1 2.96Å; F448-T451 WeakPolarHBondContact O-CB 3.42Å; F448-T451 PolarHBondContact O-N 2.92Å; Y449-T451 VanDerWaalsContact C-N 3.27Å; Y449-T451 PolarHBondContact O-N 3.06Å; T451-K454 PolarHBondContact O-N 3.1Å; T451-E455 PolarHBondContact O-N 3.36Å
452K98.2Very high97.8Very high40 Ų4078.6 Ų78.617%0.17437%0.372CS..Hα-helixtrans-72.1-36.2179.3-68.7-72.1158.6-162.80113.6V386 T389 M390 F448 Y449 K454 E455 Y456V386-K452 HydrophobicContact CG1-CD 4.26Å; T389-K452 HydrophobicContact CG2-CD 4.02Å; T389-K452 HydrophobicContact CG2-CG 4.2Å; M390-K452 HydrophobicContact CB-CB 4.05Å; M390-K452 HydrophobicContact CG-CB 4.48Å; F448-K452 HydrophobicContact CD1-CG 4.49Å; F448-K452 HydrophobicContact CE1-CG 4.05Å; F448-K452 HydrophobicContact CE2-CG 4.23Å; F448-K452 HydrophobicContact CZ-CD 4.29Å; F448-K452 HydrophobicContact CZ-CG 3.91Å; F448-K452 PolarHBondContact O-N 3.46Å; Y449-K452 PolarHBondContact O-N 2.85Å; Y449-K452 VanDerWaalsContact O-N 3.15Å; K452-K454 VanDerWaalsContact C-N 3.33Å; K452-K454 PolarHBondContact O-N 3.13Å; K452-E455 IonicContact NZ-OE1 3.7Å; K452-E455 IonicContact NZ-OE2 3.89Å; K452-E455 PolarHBondContact NZ-OE2 3.04Å; K452-E455 PolarHBondContact O-N 3.41Å; K452-Y456 WeakPolarHBondContact O-CB 3.25Å; K452-Y456 PolarHBondContact O-N 3.5Å
453M98.1Very high97.9Very high45 Ų4577.1 Ų77.122%0.22237%0.366CS..Hα-helixtrans-59.5-44172.7175.36477.500111.3M390 Y449 Y456 L457M390-M453 HydrophobicContact CE-CE 4.19Å; M390-M453 HydrophobicContact CG-CB 4.46Å; M390-M453 VanDerWaalsContact SD-CA 3.58Å; M390-M453 HydrophobicContact SD-CB 3.89Å; M390-M453 HydrophobicContact SD-CE 3.49Å; M390-M453 WeakPolarHBondContact SD-CE 3.28Å; M390-M453 HydrophobicContact SD-CG 4.35Å; M390-M453 HydrophobicContact SD-SD 3.59Å; Y449-M453 HydrophobicContact CE1-CE 4.37Å; Y449-M453 HydrophobicContact CE2-CE 4.26Å; Y449-M453 WeakPolarHBondContact O-CB 3.42Å; Y449-M453 PolarHBondContact O-N 3.39Å; Y449-M453 WeakPolarHBondContact OH-CE 3.37Å; M453-Y456 PolarHBondContact O-N 3Å; M453-Y456 HydrophobicContact SD-CD1 4.39Å; M453-L457 HydrophobicContact CG-CD1 4.01Å; M453-L457 HydrophobicContact CG-CG 4.45Å; M453-L457 WeakPolarHBondContact O-CB 3.42Å; M453-L457 VanDerWaalsContact O-CG 3.26Å; M453-L457 WeakPolarHBondContact O-CG 3.25Å; M453-L457 PolarHBondContact O-N 3.42Å; M453-L457 HydrophobicContact SD-CD1 3.95Å; M453-L457 HydrophobicContact SD-CD2 4.45Å; M453-L457 HydrophobicContact SD-CG 3.98Å
454K98.1Very high98Very high135 Ų13576.2 Ų76.259%0.58737%0.367SS*.Hα-helixtrans-62.9-46.7177.9-168.7-179.9178.4-174.30111.7F450 T451 K452 L457 E458F450-K454 WeakPolarHBondContact O-CB 3.29Å; F450-K454 PolarHBondContact O-N 3Å; T451-K454 PolarHBondContact O-N 3.1Å; K452-K454 VanDerWaalsContact C-N 3.33Å; K452-K454 PolarHBondContact O-N 3.13Å; K454-L457 PolarHBondContact O-N 3.31Å; K454-E458 WeakPolarHBondContact CE-OE1 3.49Å; K454-E458 WeakPolarHBondContact O-CG 3.23Å; K454-E458 PolarHBondContact O-N 3.41Å
455E98.2Very high98Very high74 Ų7476.4 Ų76.435%0.34637%0.366SS..Hα-helixtrans-58.2-46.9175.4-171.9-179.3172.100111.7V386 T451 K452 L457 E458 G459V386-E455 HydrophobicContact CG1-CB 3.97Å; V386-E455 HydrophobicContact CG1-CG 3.91Å; V386-E455 HydrophobicContact CG2-CG 4.1Å; V386-E455 WeakPolarHBondContact CG2-OE1 3.41Å; T451-E455 PolarHBondContact O-N 3.36Å; K452-E455 IonicContact NZ-OE1 3.7Å; K452-E455 IonicContact NZ-OE2 3.89Å; K452-E455 PolarHBondContact NZ-OE2 3.04Å; K452-E455 PolarHBondContact O-N 3.41Å; E455-L457 PolarHBondContact O-N 2.94Å; E455-E458 PolarHBondContact O-N 2.89Å; E455-G459 PolarHBondContact O-N 3.36Å
456Y98.3Very high98Very high27 Ų2776.3 Ų76.311%0.10637%0.365CS..Hα-helixtrans-60.6-45176.4169-104.8000112.8N383 K387 M390 K452 M453 G459 R460N383-Y456 VanDerWaalsContact ND2-CD2 3.35Å; N383-Y456 WeakPolarHBondContact ND2-CD2 3.42Å; N383-Y456 VanDerWaalsContact ND2-CE2 3.25Å; N383-Y456 WeakPolarHBondContact ND2-CE2 3.41Å; N383-Y456 PolarHBondContact OD1-O 3.04Å; N383-Y456 VanDerWaalsContact OD1-O 3.06Å; K387-Y456 HydrophobicContact CB-CD2 3.76Å; K387-Y456 HydrophobicContact CB-CE2 3.73Å; K387-Y456 HydrophobicContact CD-CE2 3.96Å; K387-Y456 HydrophobicContact CG-CD2 4.29Å; K387-Y456 HydrophobicContact CG-CE2 3.87Å; M390-Y456 HydrophobicContact CE-CD1 4.16Å; M390-Y456 HydrophobicContact CE-CE1 4.43Å; M390-Y456 HydrophobicContact CE-CG 4.44Å; M390-Y456 HydrophobicContact SD-CD1 4.13Å; M390-Y456 HydrophobicContact SD-CG 4.31Å; K452-Y456 WeakPolarHBondContact O-CB 3.25Å; K452-Y456 PolarHBondContact O-N 3.5Å; M453-Y456 PolarHBondContact O-N 3Å; M453-Y456 HydrophobicContact SD-CD1 4.39Å; Y456-G459 PolarHBondContact O-N 3.39Å; Y456-R460 VanDerWaalsContact O-CB 3.25Å; Y456-R460 WeakPolarHBondContact O-CB 3.32Å; Y456-R460 PolarHBondContact O-N 3.03Å
457L97.8Very high98Very high76 Ų7675.2 Ų75.240%0.39836%0.359SS..Hα-helixtrans-66.5-38.4179.5-71.6174000111.7M453 K454 E455 N461M453-L457 HydrophobicContact CG-CD1 4.01Å; M453-L457 HydrophobicContact CG-CG 4.45Å; M453-L457 WeakPolarHBondContact O-CB 3.42Å; M453-L457 VanDerWaalsContact O-CG 3.26Å; M453-L457 WeakPolarHBondContact O-CG 3.25Å; M453-L457 PolarHBondContact O-N 3.42Å; M453-L457 HydrophobicContact SD-CD1 3.95Å; M453-L457 HydrophobicContact SD-CD2 4.45Å; M453-L457 HydrophobicContact SD-CG 3.98Å; K454-L457 PolarHBondContact O-N 3.31Å; E455-L457 PolarHBondContact O-N 2.94Å; L457-N461 VanDerWaalsContact O-CB 3.24Å; L457-N461 WeakPolarHBondContact O-CB 3.23Å; L457-N461 PolarHBondContact O-N 3.42Å; L457-N461 PolarHBondContact O-ND2 2.86Å; L457-N461 VanDerWaalsContact O-ND2 3.15Å
458E97.8Very high97.9Very high116 Ų11672.1 Ų72.154%0.54236%0.356SS..Hα-helixtrans-63.4-45.6174.9-74.4176.2-169.200111.6K454 E455 N461 L462K454-E458 WeakPolarHBondContact CE-OE1 3.49Å; K454-E458 WeakPolarHBondContact O-CG 3.23Å; K454-E458 PolarHBondContact O-N 3.41Å; E455-E458 PolarHBondContact O-N 2.89Å; E458-N461 PolarHBondContact O-N 3.37Å; E458-L462 PolarHBondContact O-N 2.94Å
459G97.6Very high97.8Very high18 Ų1874 Ų7419%0.18636%0.364CS..Hα-helixtrans-63.4-48.3175.200000112.9N383 E455 Y456 N461 L462 I463N383-G459 VanDerWaalsContact OD1-CA 3.31Å; N383-G459 WeakPolarHBondContact OD1-CA 3.39Å; E455-G459 PolarHBondContact O-N 3.36Å; Y456-G459 PolarHBondContact O-N 3.39Å; G459-N461 VanDerWaalsContact C-N 3.31Å; G459-N461 PolarHBondContact O-N 2.82Å; G459-L462 PolarHBondContact O-N 3.45Å; G459-L462 VanDerWaalsContact O-N 3.11Å; G459-I463 WeakPolarHBondContact O-CG1 3.21Å; G459-I463 PolarHBondContact O-N 3.05Å
460R97.8Very high97.7Very high131 Ų13172.9 Ų72.949%0.49436%0.36SS..Hα-helixtrans-59-39.6176.2-170.6-178.6-175.5-176.80.6112.3N383 Y456 L462 I463 T464N383-R460 PolarHBondContact OD1-N 3.32Å; N383-R460 VanDerWaalsContact OD1-N 3.17Å; Y456-R460 VanDerWaalsContact O-CB 3.25Å; Y456-R460 WeakPolarHBondContact O-CB 3.32Å; Y456-R460 PolarHBondContact O-N 3.03Å; R460-L462 VanDerWaalsContact C-N 3.35Å; R460-I463 PolarHBondContact O-N 2.8Å; R460-T464 WeakPolarHBondContact O-CB 3.3Å; R460-T464 PolarHBondContact O-N 3.02Å; R460-T464 PolarHBondContact O-OG1 3.46Å
461N97.6Very high97.6Very high92 Ų9270.4 Ų70.449%0.49235%0.353SS..Hα-helixtrans-62.1-41.4175.7-80.6-24.9000112L457 E458 G459 K465L457-N461 VanDerWaalsContact O-CB 3.24Å; L457-N461 WeakPolarHBondContact O-CB 3.23Å; L457-N461 PolarHBondContact O-N 3.42Å; L457-N461 PolarHBondContact O-ND2 2.86Å; L457-N461 VanDerWaalsContact O-ND2 3.15Å; E458-N461 PolarHBondContact O-N 3.37Å; G459-N461 VanDerWaalsContact C-N 3.31Å; G459-N461 PolarHBondContact O-N 2.82Å; N461-K465 WeakPolarHBondContact O-CD 3.41Å; N461-K465 VanDerWaalsContact O-CG 3.28Å; N461-K465 WeakPolarHBondContact O-CG 3.28Å; N461-K465 PolarHBondContact O-N 3.22Å
462L97.9Very high97.4Very high60 Ų6071.5 Ų71.531%0.31436%0.356SS..Hα-helixtrans-68.3-45.7176.6-17859.1000111.5L379 E458 G459 R460 T464 K465 L466L379-L462 HydrophobicContact CD1-CD2 3.69Å; L379-L462 HydrophobicContact CD1-CG 3.94Å; L379-L462 HydrophobicContact CD2-CD2 4.16Å; E458-L462 PolarHBondContact O-N 2.94Å; G459-L462 PolarHBondContact O-N 3.45Å; G459-L462 VanDerWaalsContact O-N 3.11Å; R460-L462 VanDerWaalsContact C-N 3.35Å; L462-T464 VanDerWaalsContact C-N 3.35Å; L462-T464 PolarHBondContact O-N 3.47Å; L462-K465 PolarHBondContact O-N 3.38Å; L462-L466 HydrophobicContact CD1-CD1 4.04Å; L462-L466 HydrophobicContact CD1-CG 4.08Å; L462-L466 HydrophobicContact CG-CD1 4.07Å; L462-L466 HydrophobicContact CG-CG 4.43Å; L462-L466 WeakPolarHBondContact O-CG 3.19Å; L462-L466 PolarHBondContact O-N 2.92Å
463I98Very high97.2Very high21 Ų2170.3 Ų70.311%0.10835%0.351CS..Hα-helixtrans-56.2-49.4176.6-69162.7000110.4L376 L379 K380 N383 G459 R460 K465 L466 Q467L376-I463 HydrophobicContact CD2-CG2 4.1Å; L379-I463 HydrophobicContact CB-CD1 4.32Å; L379-I463 HydrophobicContact CB-CG1 3.87Å; K380-I463 HydrophobicContact CG-CD1 4.29Å; K380-I463 HydrophobicContact CG-CG2 4.25Å; N383-I463 HydrophobicContact CB-CD1 3.58Å; G459-I463 WeakPolarHBondContact O-CG1 3.21Å; G459-I463 PolarHBondContact O-N 3.05Å; R460-I463 PolarHBondContact O-N 2.8Å; I463-K465 VanDerWaalsContact C-N 3.31Å; I463-K465 PolarHBondContact O-N 2.86Å; I463-L466 PolarHBondContact O-N 3.32Å; I463-Q467 WeakPolarHBondContact O-CB 3.38Å; I463-Q467 PolarHBondContact O-N 2.73Å
464T97.4Very high97Very high83 Ų8373 Ų7351%0.50936%0.363SS..Hα-helixtrans-56.6-44.3-179.5-56.40000111.6R460 L462 A468R460-T464 WeakPolarHBondContact O-CB 3.3Å; R460-T464 PolarHBondContact O-N 3.02Å; R460-T464 PolarHBondContact O-OG1 3.46Å; L462-T464 VanDerWaalsContact C-N 3.35Å; L462-T464 PolarHBondContact O-N 3.47Å; T464-A468 WeakPolarHBondContact O-CB 3.24Å; T464-A468 PolarHBondContact O-N 2.92Å; T464-A468 VanDerWaalsContact O-N 3.16Å
465K97.6Very high96.7Very high139 Ų13973.2 Ų73.260%0.60436%0.364SS*.Hα-helixtrans-65.1-43.3178.2-69.3168.2-172.1176.40112.5N461 L462 I463N461-K465 WeakPolarHBondContact O-CD 3.41Å; N461-K465 VanDerWaalsContact O-CG 3.28Å; N461-K465 WeakPolarHBondContact O-CG 3.28Å; N461-K465 PolarHBondContact O-N 3.22Å; L462-K465 PolarHBondContact O-N 3.38Å; I463-K465 VanDerWaalsContact C-N 3.31Å; I463-K465 PolarHBondContact O-N 2.86Å
466L97.9Very high96.3Very high21 Ų2170.9 Ų70.911%0.1136%0.355CS..Hα-helixtrans-75-39-177.7-64.4-177000111.7L372 R375 L376 L379 L462 I463 K469 H470L372-L466 HydrophobicContact CD2-CB 4.33Å; L372-L466 HydrophobicContact CD2-CD2 3.79Å; R375-L466 HydrophobicContact CG-CD1 4.26Å; L376-L466 HydrophobicContact CD1-CB 4.42Å; L376-L466 HydrophobicContact CD2-CB 3.78Å; L376-L466 HydrophobicContact CG-CB 4.04Å; L379-L466 HydrophobicContact CD1-CD1 3.76Å; L462-L466 HydrophobicContact CD1-CD1 4.04Å; L462-L466 HydrophobicContact CD1-CG 4.08Å; L462-L466 HydrophobicContact CG-CD1 4.07Å; L462-L466 HydrophobicContact CG-CG 4.43Å; L462-L466 WeakPolarHBondContact O-CG 3.19Å; L462-L466 PolarHBondContact O-N 2.92Å; I463-L466 PolarHBondContact O-N 3.32Å; L466-K469 PolarHBondContact O-N 2.76Å; L466-H470 WeakPolarHBondContact O-CB 3.31Å; L466-H470 PolarHBondContact O-N 3.34Å
467Q97.1Very high95.7Very high39 Ų3970.4 Ų70.418%0.18235%0.354CS..Hα-helixtrans-62.6-46.9178.5-1716859.600110.9L376 I463 K469 H470 D471L376-Q467 HydrophobicContact CD1-CB 4.44Å; L376-Q467 HydrophobicContact CD2-CB 4.14Å; I463-Q467 WeakPolarHBondContact O-CB 3.38Å; I463-Q467 PolarHBondContact O-N 2.73Å; Q467-K469 VanDerWaalsContact C-N 3.27Å; Q467-K469 PolarHBondContact O-N 2.95Å; Q467-H470 WeakPolarHBondContact O-CB 3.18Å; Q467-H470 PolarHBondContact O-N 3.38Å; Q467-H470 VanDerWaalsContact O-N 3.14Å; Q467-D471 PolarHBondContact NE2-OD1 3.13Å; Q467-D471 PolarHBondContact NE2-OD2 3.23Å; Q467-D471 WeakPolarHBondContact O-CB 3.35Å; Q467-D471 PolarHBondContact O-N 2.81Å
468A96.6Very high94.2Very high64 Ų6468.2 Ų68.253%0.52935%0.35SS..Hα-helixtrans-58.4-37.8177.300000112.9T464 L472T464-A468 WeakPolarHBondContact O-CB 3.24Å; T464-A468 PolarHBondContact O-N 2.92Å; T464-A468 VanDerWaalsContact O-N 3.16Å; A468-L472 PolarHBondContact O-N 3.24Å
469K96.9Very high92.1Very high132 Ų13269 Ų6957%0.57435%0.353SS*.Hα-helixtrans-71.3-43.4175.5-69.5-178.6-179.1-173.60112.1L372 L466 Q467 L473L372-K469 HydrophobicContact CD1-CB 4.16Å; L466-K469 PolarHBondContact O-N 2.76Å; Q467-K469 VanDerWaalsContact C-N 3.27Å; Q467-K469 PolarHBondContact O-N 2.95Å; K469-L473 WeakPolarHBondContact O-CG 3.45Å; K469-L473 PolarHBondContact O-N 2.85Å; K469-L473 VanDerWaalsContact O-N 3.13Å
470H96.6Very high89.6Confident13 Ų1370.1 Ų70.16%0.0636%0.359CS..Hα-helixtrans-59-48.4176.6173-87.6000110.9L372 Q373 L376 L466 Q467 L472 L473 Q474L372-H470 HydrophobicContact CB-CB 4.16Å; L372-H470 HydrophobicContact CD1-CB 4.39Å; Q373-H470 PolarHBondContact OE1-CE1 3.02Å; Q373-H470 VanDerWaalsContact OE1-CE1 3.31Å; Q373-H470 PolarHBondContact OE1-NE2 2.98Å; Q373-H470 VanDerWaalsContact OE1-NE2 3.15Å; L376-H470 HydrophobicContact CD1-CB 3.7Å; L466-H470 WeakPolarHBondContact O-CB 3.31Å; L466-H470 PolarHBondContact O-N 3.34Å; Q467-H470 WeakPolarHBondContact O-CB 3.18Å; Q467-H470 PolarHBondContact O-N 3.38Å; Q467-H470 VanDerWaalsContact O-N 3.14Å; H470-L472 VanDerWaalsContact C-N 3.33Å; H470-L472 PolarHBondContact O-N 3.03Å; H470-L473 PolarHBondContact O-N 3.12Å; H470-L473 VanDerWaalsContact O-N 3.16Å; H470-Q474 VanDerWaalsContact O-CB 3.29Å; H470-Q474 WeakPolarHBondContact O-CB 3.49Å; H470-Q474 PolarHBondContact O-N 3.02Å
471D95.1Very high87Confident79 Ų7972.2 Ų72.242%0.42237%0.374SS..Hα-helixtrans-64.5-37.4-176.1-64.6-14000112.2Q467 K475Q467-D471 PolarHBondContact NE2-OD1 3.13Å; Q467-D471 PolarHBondContact NE2-OD2 3.23Å; Q467-D471 WeakPolarHBondContact O-CB 3.35Å; Q467-D471 PolarHBondContact O-N 2.81Å; D471-K475 VanDerWaalsContact O-CB 3.3Å; D471-K475 WeakPolarHBondContact O-CB 3.14Å; D471-K475 PolarHBondContact O-N 3.09Å
472L95.8Very high84.2Confident97 Ų9776.6 Ų76.651%0.50838%0.383SS..Hα-helixtrans-66.5-41.5174.7-173.564.4000112.1L355 A468 H470 T476L355-L472 HydrophobicContact CD1-CD2 3.99Å; L355-L472 HydrophobicContact CD1-CG 3.7Å; L355-L472 HydrophobicContact CG-CD2 4.23Å; L355-L472 HydrophobicContact CG-CG 4.28Å; A468-L472 PolarHBondContact O-N 3.24Å; H470-L472 VanDerWaalsContact C-N 3.33Å; H470-L472 PolarHBondContact O-N 3.03Å; L472-T476 PolarHBondContact O-N 2.88Å; L472-T476 PolarHBondContact O-OG1 2.8Å
473L94.3Very high81.3Confident15 Ų1579.3 Ų79.38%0.07940%0.403CS..Hα-helixtrans-66.5-46.3175.3-72.5169.2000111.4L355 L365 R368 C369 L372 K469 H470 K475 T476 L477L355-L473 HydrophobicContact CD1-CD2 3.89Å; L355-L473 HydrophobicContact CD1-CG 4.46Å; L365-L473 HydrophobicContact CB-CD2 4.3Å; L365-L473 HydrophobicContact CD2-CD2 3.76Å; L365-L473 HydrophobicContact CG-CD2 4.46Å; R368-L473 HydrophobicContact CG-CD1 4.23Å; C369-L473 HydrophobicContact CB-CB 4.28Å; L372-L473 HydrophobicContact CD1-CD1 3.7Å; K469-L473 WeakPolarHBondContact O-CG 3.45Å; K469-L473 PolarHBondContact O-N 2.85Å; K469-L473 VanDerWaalsContact O-N 3.13Å; H470-L473 PolarHBondContact O-N 3.12Å; H470-L473 VanDerWaalsContact O-N 3.16Å; L473-K475 VanDerWaalsContact C-N 3.3Å; L473-K475 PolarHBondContact O-N 2.75Å; L473-T476 PolarHBondContact O-N 3.45Å; L473-T476 VanDerWaalsContact O-N 3.15Å; L473-L477 HydrophobicContact CB-CD1 4.43Å; L473-L477 WeakPolarHBondContact O-CB 3.4Å; L473-L477 VanDerWaalsContact O-CG 3.26Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 2.67Å
474Q93Very high78.1Confident100 Ų10086 Ų8647%0.46744%0.438SS..Hα-helixtrans-59.9-42178.9-174.164.430.400111.2C369 H470 G478C369-Q474 PolarHBondContact SG-OE1 2.93Å; H470-Q474 VanDerWaalsContact O-CB 3.29Å; H470-Q474 WeakPolarHBondContact O-CB 3.49Å; H470-Q474 PolarHBondContact O-N 3.02Å; Q474-G478 WeakPolarHBondContact O-CA 3.3Å; Q474-G478 PolarHBondContact O-N 3.06Å
475K91.6Very high74.8Confident140 Ų14087.9 Ų87.961%0.60945%0.454SS*.Hα-helixtrans-59.7-46175.1-174.6177.3178-179.10111.6D471 L473 E479D471-K475 VanDerWaalsContact O-CB 3.3Å; D471-K475 WeakPolarHBondContact O-CB 3.14Å; D471-K475 PolarHBondContact O-N 3.09Å; L473-K475 VanDerWaalsContact C-N 3.3Å; L473-K475 PolarHBondContact O-N 2.75Å; K475-E479 WeakPolarHBondContact O-CG 3.42Å
476T90.1Very high71.7Confident25 Ų2586.7 Ų86.715%0.15346%0.463CS..Hα-helixtrans-72.6-39.5-177-480000112.4L355 A357 L472 L473 S480L355-T476 HydrophobicContact CB-CG2 3.84Å; A357-T476 HydrophobicContact CB-CG2 3.72Å; L472-T476 PolarHBondContact O-N 2.88Å; L472-T476 PolarHBondContact O-OG1 2.8Å; L473-T476 PolarHBondContact O-N 3.45Å; L473-T476 VanDerWaalsContact O-N 3.15Å; T476-S480 PolarHBondContact O-OG 3.42Å
477L86.2Confident68.6Low17 Ų1793.9 Ų93.99%0.08950%0.501CS..Hα-helixtrans-80.9-33.8-177.5-65171.3000112.8A357 Q362 L365 V366 C369 L473 E479 S480 Q481A357-L477 HydrophobicContact CB-CD2 4.15Å; Q362-L477 HydrophobicContact CG-CD2 4.3Å; L365-L477 HydrophobicContact CB-CD1 4.34Å; L365-L477 HydrophobicContact CB-CD2 4.2Å; V366-L477 HydrophobicContact CG2-CD1 4.06Å; V366-L477 HydrophobicContact CG2-CD2 3.84Å; V366-L477 HydrophobicContact CG2-CG 4.47Å; C369-L477 HydrophobicContact CB-CD1 3.78Å; L473-L477 HydrophobicContact CB-CD1 4.43Å; L473-L477 WeakPolarHBondContact O-CB 3.4Å; L473-L477 VanDerWaalsContact O-CG 3.26Å; L473-L477 WeakPolarHBondContact O-CG 3.49Å; L473-L477 PolarHBondContact O-N 2.67Å; L477-E479 VanDerWaalsContact C-N 3.26Å; L477-E479 PolarHBondContact O-N 2.78Å; L477-S480 PolarHBondContact O-N 3.09Å; L477-S480 VanDerWaalsContact O-N 3.13Å; L477-Q481 PolarHBondContact O-N 3.32Å
478G66.2Low65.7Low30 Ų3096.4 Ų96.431%0.30953%0.529SS..Hα-helixtrans-68-23.4175.400000113.9Q474Q474-G478 WeakPolarHBondContact O-CA 3.3Å; Q474-G478 PolarHBondContact O-N 3.06Å
479E52.6Low62.5Low133 Ų133102.6 Ų102.662%0.62154%0.538SS*.Hα-helixtrans-79.9-28.5170.2-71.3176.1-172.200112.1K475 L477K475-E479 WeakPolarHBondContact O-CG 3.42Å; L477-E479 VanDerWaalsContact C-N 3.26Å; L477-E479 PolarHBondContact O-N 2.78Å
480S46.5Very low59.4Low42 Ų42108.4 Ų108.429%0.29456%0.557SS.*Hα-helixtrans-83.1-14.8-176.8-56.90000114.8T476 L477T476-S480 PolarHBondContact O-OG 3.42Å; L477-S480 PolarHBondContact O-N 3.09Å; L477-S480 VanDerWaalsContact O-N 3.13Å
481Q41.8Very low56.1Low175 Ų175112 Ų11282%0.81858%0.583SS**THydrogen-bonded Turntrans-94.93.5-178.3-135.6172.86.700113.6L477L477-Q481 PolarHBondContact O-N 3.32Å
482R39.4Very low52.8Low183 Ų183112.8 Ų112.869%0.69160%0.595SS**  trans-95.85.4-176.7-76.4-172.9174.9169.23.4115
483T36.6Very low49.7Very low118 Ų118112.8 Ų112.872%0.72460%0.599SS**SBendtrans-92.63.6-172.45.50000116.7
484D32Very low46.9Very low160 Ų160118.7 Ų118.786%0.85664%0.635SS**SBendtrans-139.177.5170-81.4-40.7000110.9
485C27.2Very low44Very low123 Ų123123.7 Ų123.783%0.83165%0.65SS**  trans-177.3118.7147.9-109.70000109.4
486S32.6Very low41.2Very low114 Ų114125.8 Ų125.880%0.79766%0.659SS**  trans-64.3144.9172.1-49.70000111.3
487L33.8Very low38.7Very low172 Ų172133.7 Ų133.790%0.90169%0.694SS**SBendtrans94.1124.4168.1-56.5166.7000116.8
488A35.9Very low36Very low93 Ų93138.2 Ų138.277%0.76972%0.718SS**  trans70.996.9170.400000117.3
489R29.2Very low34.9Very low194 Ų194143 Ų14373%0.73275%0.747SS**  16395.5125-88.1166.874.7141.64.9110.1S491R489-S491 PolarHBondContact O-N 3.38Å
490R30.3Very low34.7Very low254 Ų254141.4 Ų141.496%0.95875%0.75SS**  trans-77.7112.8152.9-88.2-176.8172.2172.7-1.9107.9
491S27.4Very low35.4Very low89 Ų89145.1 Ų145.162%0.62276%0.763SS**  trans50.287.8142.7-160.40000116.9R489 T493R489-S491 PolarHBondContact O-N 3.38Å; S491-T493 PolarHBondContact O-N 2.84Å
492S27.2Very low37.2Very low95 Ų95138.4 Ų138.466%0.66474%0.738SS**  trans-68.977.6144.755.50000107.8V494S492-V494 PolarHBondContact O-N 3.46Å
493T30.7Very low39.6Very low96 Ų96130 Ų13059%0.58971%0.706SS**  trans-51.8120.2143.837.30000105.2S491 R495S491-T493 PolarHBondContact O-N 2.84Å; T493-R495 PolarHBondContact O-N 2.83Å
494V34.9Very low42.3Very low139 Ų139125.8 Ų125.884%0.84268%0.681SS**  trans-49.398.3155.4172.20000104.7S492 K496S492-V494 PolarHBondContact O-N 3.46Å; V494-K496 PolarHBondContact O-N 3.37Å
495R31.6Very low45.1Very low206 Ų206121 Ų12178%0.77766%0.655SS**  trans-64.598.6165.1-79-175.1177.5174.7-2.3103.2T493 Q497T493-R495 PolarHBondContact O-N 2.83Å; R495-Q497 PolarHBondContact O-N 2.88Å
496K33.4Very low48.3Very low183 Ų183115.9 Ų115.980%0.79662%0.62SS**  trans-36.8122.8137.5-85.9178.4167.4-177.20105.1V494 D498V494-K496 PolarHBondContact O-N 3.37Å; K496-D498 VanDerWaalsContact C-N 3.35Å; K496-D498 PolarHBondContact O-N 2.87Å
497Q36.8Very low51.3Low191 Ų191110.4 Ų110.489%0.89358%0.582SS**  trans-43.4108.5169.9-83.5171.6-26.600107R495 S499R495-Q497 PolarHBondContact O-N 2.88Å; Q497-S499 PolarHBondContact O-N 3.49Å
498D30.1Very low54.1Low113 Ų113106.2 Ų106.260%0.60456%0.558SS**  trans-61124.4170.1-82.1-41.1000104.9K496 S500K496-D498 VanDerWaalsContact C-N 3.35Å; K496-D498 PolarHBondContact O-N 2.87Å; D498-S500 PolarHBondContact O-N 3.36Å
499S43.5Very low56.8Low129 Ų129102 Ų10290%0.90252%0.522SS*.THydrogen-bonded Turntrans-66.139.4175.7560000112.5Q497Q497-S499 PolarHBondContact O-N 3.49Å
500S47.1Very low60Low100 Ų10092.7 Ų92.770%0.69949%0.488SS*.THydrogen-bonded Turntrans-109.2-7.4-172.4520000114.3D498D498-S500 PolarHBondContact O-N 3.36Å
501Q62.6Low63.1Low120 Ų12080.6 Ų80.656%0.56144%0.442SS*.  trans-90.3119.1165.2-82.1-179-23.300109.2I503Q501-I503 PolarHBondContact O-N 3.22Å
502A79.7Confident66.2Low35 Ų3579 Ų7929%0.28942%0.422SS..SBendtrans-71-20.4-178.900000113.2I613 P687A502-I613 HydrophobicContact CB-CG2 4.43Å; A502-P687 VanDerWaalsContact CB-CD 3.45Å; A502-P687 HydrophobicContact CB-CG 3.84Å
503I89.7Confident69.4Low5 Ų574.5 Ų74.53%0.02639%0.391CS..SBendtrans-126.6131.1171.8-59.8-172.7000108.1Q501 V507 E508 I613 Y617 P687Q501-I503 PolarHBondContact O-N 3.22Å; I503-V507 HydrophobicContact CG2-CB 3.99Å; I503-V507 HydrophobicContact CG2-CG1 3.96Å; I503-E508 HydrophobicContact CG2-CB 4.06Å; I503-I613 HydrophobicContact CG1-CG2 4.27Å; I503-Y617 HydrophobicContact CD1-CD1 3.68Å; I503-Y617 HydrophobicContact CD1-CD2 3.19Å; I503-Y617 HydrophobicContact CD1-CE1 4.09Å; I503-Y617 HydrophobicContact CD1-CE2 3.66Å; I503-Y617 HydrophobicContact CD1-CG 3.2Å; I503-P687 HydrophobicContact CD1-CB 3.71Å; I503-P687 HydrophobicContact CD1-CG 4.26Å; I503-P687 HydrophobicContact CG1-CB 4.17Å; I503-P687 HydrophobicContact CG1-CG 4.16Å
504P92.8Very high72.4Confident30 Ų3069.9 Ų69.920%0.19536%0.363CS..  trans-60137.1175.5-23.533.6000112.1V506 V507 E508 Y567 I614P504-V506 VanDerWaalsContact C-N 3.26Å; P504-V506 HydrophobicContact CB-CG1 4.3Å; P504-V506 PolarHBondContact O-N 3.47Å; P504-V506 VanDerWaalsContact O-N 3.16Å; P504-V507 HydrophobicContact CB-CG2 4.18Å; P504-V507 HydrophobicContact CG-CG2 4.34Å; P504-V507 WeakPolarHBondContact O-CA 3.37Å; P504-V507 WeakPolarHBondContact O-CB 3.34Å; P504-V507 PolarHBondContact O-N 3.36Å; P504-E508 PolarHBondContact O-N 2.99Å; P504-Y567 HydrophobicContact CB-CE1 4.32Å; P504-Y567 VanDerWaalsContact CB-OH 3.26Å; P504-Y567 WeakPolarHBondContact CB-OH 3.49Å; P504-Y567 HydrophobicContact CG-CE1 4.28Å; P504-Y567 WeakPolarHBondContact CG-OH 3.23Å; P504-I614 HydrophobicContact CG-CD1 4.21Å
505L91.3Very high75.2Confident59 Ų5964.1 Ų64.131%0.30933%0.328SS..Hα-helixtrans-52.1-40.6-177.1-177.863.2000113.7V507 E508 S509 F541 D546L505-V507 VanDerWaalsContact C-N 3.33Å; L505-V507 PolarHBondContact O-N 3.18Å; L505-E508 PolarHBondContact O-N 3.34Å; L505-S509 WeakPolarHBondContact O-CB 3.34Å; L505-S509 PolarHBondContact O-N 3.35Å; L505-F541 HydrophobicContact CG-CE1 4.33Å; L505-D546 HydrophobicContact CD2-CB 4.2Å
506V94.1Very high78Confident16 Ų1660.9 Ų60.910%0.09732%0.316CS..Hα-helixtrans-61.8-38.8176.5620000112.5P504 C510 F541 V563 Y567P504-V506 VanDerWaalsContact C-N 3.26Å; P504-V506 HydrophobicContact CB-CG1 4.3Å; P504-V506 PolarHBondContact O-N 3.47Å; P504-V506 VanDerWaalsContact O-N 3.16Å; V506-C510 WeakPolarHBondContact O-CB 3.44Å; V506-C510 PolarHBondContact O-N 3.25Å; V506-C510 VanDerWaalsContact O-N 3.11Å; V506-C510 PolarHBondContact O-SG 3.33Å; V506-F541 HydrophobicContact CB-CB 4.44Å; V506-F541 HydrophobicContact CB-CD1 4.07Å; V506-F541 HydrophobicContact CB-CD2 4.18Å; V506-F541 HydrophobicContact CB-CE1 4.34Å; V506-F541 HydrophobicContact CB-CE2 4.44Å; V506-F541 HydrophobicContact CB-CG 3.99Å; V506-F541 HydrophobicContact CG2-CD1 4.48Å; V506-F541 HydrophobicContact CG2-CD2 3.7Å; V506-F541 HydrophobicContact CG2-CE2 3.92Å; V506-F541 HydrophobicContact CG2-CG 4Å; V506-F541 HydrophobicContact CG2-CZ 4.41Å; V506-V563 HydrophobicContact CG2-CG1 3.96Å; V506-Y567 HydrophobicContact CG1-CD1 3.99Å; V506-Y567 HydrophobicContact CG1-CD2 3.32Å; V506-Y567 HydrophobicContact CG1-CE1 4.05Å; V506-Y567 HydrophobicContact CG1-CE2 3.38Å; V506-Y567 HydrophobicContact CG1-CG 3.63Å
507V95Very high80.7Confident0 Ų055.8 Ų55.80%030%0.295CS..Hα-helixtrans-70.1-46.9177.1177.40000109.9I503 P504 L505 I511 L564 Y567 F568I503-V507 HydrophobicContact CG2-CB 3.99Å; I503-V507 HydrophobicContact CG2-CG1 3.96Å; P504-V507 HydrophobicContact CB-CG2 4.18Å; P504-V507 HydrophobicContact CG-CG2 4.34Å; P504-V507 WeakPolarHBondContact O-CA 3.37Å; P504-V507 WeakPolarHBondContact O-CB 3.34Å; P504-V507 PolarHBondContact O-N 3.36Å; L505-V507 VanDerWaalsContact C-N 3.33Å; L505-V507 PolarHBondContact O-N 3.18Å; V507-I511 HydrophobicContact CG1-CD1 3.71Å; V507-I511 VanDerWaalsContact O-CB 3.26Å; V507-I511 WeakPolarHBondContact O-CB 3.31Å; V507-I511 VanDerWaalsContact O-CG1 3.29Å; V507-I511 WeakPolarHBondContact O-CG1 3.47Å; V507-I511 PolarHBondContact O-N 3.33Å; V507-L564 HydrophobicContact CB-CD1 4.47Å; V507-L564 HydrophobicContact CG1-CD1 4.37Å; V507-L564 HydrophobicContact CG2-CD1 4.4Å; V507-Y567 HydrophobicContact CG2-CD1 3.44Å; V507-Y567 VanDerWaalsContact CG2-CD1 3.44Å; V507-Y567 HydrophobicContact CG2-CE1 3.27Å; V507-Y567 HydrophobicContact CG2-CG 4.48Å; V507-F568 HydrophobicContact CG1-CZ 3.97Å; V507-F568 HydrophobicContact CG2-CE1 4.33Å; V507-F568 HydrophobicContact CG2-CE2 4.28Å; V507-F568 HydrophobicContact CG2-CZ 3.78Å
508E93.3Very high83.3Confident83 Ų8346.7 Ų46.739%0.38825%0.253SS..Hα-helixtrans-62-50.1-179.3-174.2175.9-169.200111.9I503 P504 L505 R512I503-E508 HydrophobicContact CG2-CB 4.06Å; P504-E508 PolarHBondContact O-N 2.99Å; L505-E508 PolarHBondContact O-N 3.34Å; E508-R512 WeakPolarHBondContact O-CB 3.49Å; E508-R512 PolarHBondContact O-N 2.95Å
509S93.3Very high86.3Confident4 Ų442.5 Ų42.53%0.02823%0.23CC..Hα-helixtrans-71.3-40.5-177.2-84.70000113.2L505 R512 F513 D546L505-S509 WeakPolarHBondContact O-CB 3.34Å; L505-S509 PolarHBondContact O-N 3.35Å; S509-R512 PolarHBondContact O-N 2.88Å; S509-R512 PolarHBondContact OG-NH2 2.95Å; S509-F513 WeakPolarHBondContact O-CB 3.43Å; S509-F513 PolarHBondContact O-N 3.44Å; S509-D546 PolarHBondContact OG-OD1 3.4Å; S509-D546 PolarHBondContact OG-OD2 2.96Å
510C95.2Very high88.6Confident0 Ų041.9 Ų41.90%021%0.213CC..Hα-helixtrans-63-47173.8-710000111.7V506 R512 F513 I514 I560 L564V506-C510 WeakPolarHBondContact O-CB 3.44Å; V506-C510 PolarHBondContact O-N 3.25Å; V506-C510 VanDerWaalsContact O-N 3.11Å; V506-C510 PolarHBondContact O-SG 3.33Å; C510-R512 PolarHBondContact O-N 3.18Å; C510-F513 PolarHBondContact O-N 3.41Å; C510-I514 VanDerWaalsContact O-CG1 3.27Å; C510-I514 WeakPolarHBondContact O-CG1 3.21Å; C510-I514 PolarHBondContact O-N 3.1Å; C510-I560 HydrophobicContact CB-CG2 4.2Å; C510-L564 HydrophobicContact CB-CB 4.03Å; C510-L564 HydrophobicContact CB-CD1 4.1Å; C510-L564 HydrophobicContact CB-CD2 4.44Å; C510-L564 HydrophobicContact CB-CG 4.42Å
511I96.1Very high90.8Very high0 Ų039.9 Ų39.90%019%0.192CC..Hα-helixtrans-63.6-43178.6-73.1176.2000110.9V507 F513 S515 L564 Y617 L618 F621 Y689V507-I511 HydrophobicContact CG1-CD1 3.71Å; V507-I511 VanDerWaalsContact O-CB 3.26Å; V507-I511 WeakPolarHBondContact O-CB 3.31Å; V507-I511 VanDerWaalsContact O-CG1 3.29Å; V507-I511 WeakPolarHBondContact O-CG1 3.47Å; V507-I511 PolarHBondContact O-N 3.33Å; I511-F513 VanDerWaalsContact C-N 3.33Å; I511-F513 PolarHBondContact O-N 3.31Å; I511-S515 WeakPolarHBondContact O-CB 3.44Å; I511-S515 PolarHBondContact O-N 3.38Å; I511-L564 HydrophobicContact CG1-CD1 4.41Å; I511-L564 HydrophobicContact CG1-CD2 3.79Å; I511-Y617 HydrophobicContact CB-CE1 4.12Å; I511-Y617 HydrophobicContact CD1-CD1 3.76Å; I511-Y617 HydrophobicContact CD1-CE1 3.8Å; I511-Y617 HydrophobicContact CG2-CE1 3.77Å; I511-L618 HydrophobicContact CD1-CD1 4.15Å; I511-F621 HydrophobicContact CB-CG 4.45Å; I511-F621 HydrophobicContact CD1-CB 4.38Å; I511-F621 HydrophobicContact CD1-CD1 4.11Å; I511-F621 HydrophobicContact CD1-CG 4.38Å; I511-F621 HydrophobicContact CG1-CD1 3.86Å; I511-F621 HydrophobicContact CG1-CE1 4.18Å; I511-F621 HydrophobicContact CG1-CG 4.19Å; I511-F621 HydrophobicContact CG2-CB 3.85Å; I511-F621 HydrophobicContact CG2-CD1 4.16Å; I511-F621 HydrophobicContact CG2-CD2 3.68Å; I511-F621 HydrophobicContact CG2-CE2 4.27Å; I511-F621 HydrophobicContact CG2-CG 3.6Å; I511-Y689 HydrophobicContact CG2-CD2 3.95Å; I511-Y689 HydrophobicContact CG2-CE2 3.8Å
512R92.8Very high92.3Very high54 Ų5440.5 Ų40.520%0.20420%0.195CC..Hα-helixtrans-59.3-44.8176.8177.6-17454.470.55.8111.5E508 S509 C510 R516 L548E508-R512 WeakPolarHBondContact O-CB 3.49Å; E508-R512 PolarHBondContact O-N 2.95Å; S509-R512 PolarHBondContact O-N 2.88Å; S509-R512 PolarHBondContact OG-NH2 2.95Å; C510-R512 PolarHBondContact O-N 3.18Å; R512-R516 WeakPolarHBondContact O-CG 3.25Å; R512-R516 PolarHBondContact O-N 2.87Å; R512-L548 PolarHBondContact NH2-O 3.31Å
513F93.2Very high92.8Very high1 Ų139.2 Ų39.20%0.00419%0.185CC..Hα-helixtrans-68.1-49.5-177.6-161.6-88.4000111.6S509 C510 I511 S515 R516 H517 L548 N553 M557 I560S509-F513 WeakPolarHBondContact O-CB 3.43Å; S509-F513 PolarHBondContact O-N 3.44Å; C510-F513 PolarHBondContact O-N 3.41Å; I511-F513 VanDerWaalsContact C-N 3.33Å; I511-F513 PolarHBondContact O-N 3.31Å; F513-S515 VanDerWaalsContact C-N 3.3Å; F513-S515 PolarHBondContact O-N 3.4Å; F513-R516 PolarHBondContact O-N 3.46Å; F513-R516 VanDerWaalsContact O-N 3.08Å; F513-H517 PolarHBondContact O-N 3.28Å; F513-L548 HydrophobicContact CB-CD1 4.34Å; F513-L548 HydrophobicContact CD2-CB 4.3Å; F513-N553 WeakPolarHBondContact CE1-OD1 3.27Å; F513-N553 WeakPolarHBondContact CZ-OD1 3.41Å; F513-M557 HydrophobicContact CD1-CE 3.89Å; F513-M557 HydrophobicContact CD1-SD 4.08Å; F513-M557 HydrophobicContact CE1-CE 3.32Å; F513-M557 HydrophobicContact CE1-SD 4Å; F513-M557 HydrophobicContact CZ-CE 4.28Å; F513-I560 HydrophobicContact CD1-CD1 3.46Å; F513-I560 VanDerWaalsContact CD1-CD1 3.46Å; F513-I560 HydrophobicContact CE1-CD1 3.33Å; F513-I560 HydrophobicContact CG-CD1 4.34Å; F513-I560 HydrophobicContact CZ-CD1 4.21Å
514I94.5Very high93.1Very high0 Ų039 Ų390%018%0.184CC..Hα-helixtrans-62.3-39.8177.3-61167.1000110.7C510 R516 H517 G518 L519 I524 F525 I560 A561 L564 F621C510-I514 VanDerWaalsContact O-CG1 3.27Å; C510-I514 WeakPolarHBondContact O-CG1 3.21Å; C510-I514 PolarHBondContact O-N 3.1Å; I514-R516 PolarHBondContact O-N 3.07Å; I514-H517 PolarHBondContact O-N 2.97Å; I514-G518 CarbonylContact O-C 3.48Å; I514-G518 VanDerWaalsContact O-CA 3.27Å; I514-G518 WeakPolarHBondContact O-CA 3.22Å; I514-G518 PolarHBondContact O-N 3.3Å; I514-L519 PolarHBondContact O-N 2.91Å; I514-I524 HydrophobicContact CG2-CG1 4.26Å; I514-F525 HydrophobicContact CD1-CE1 4.14Å; I514-F525 HydrophobicContact CD1-CZ 3.67Å; I514-I560 HydrophobicContact CD1-CG2 4.16Å; I514-I560 HydrophobicContact CG1-CG2 4.01Å; I514-A561 HydrophobicContact CD1-CB 4.34Å; I514-L564 HydrophobicContact CD1-CD2 4.37Å; I514-F621 HydrophobicContact CB-CE2 4.46Å; I514-F621 HydrophobicContact CB-CZ 4.03Å; I514-F621 HydrophobicContact CG2-CE2 4.24Å; I514-F621 HydrophobicContact CG2-CZ 3.69Å
515S93.3Very high93.2Very high18 Ų1837.6 Ų37.613%0.12618%0.175CC..Hα-helixtrans-64.9-20.7177.3-179.40000114I511 F513 L519 Y689I511-S515 WeakPolarHBondContact O-CB 3.44Å; I511-S515 PolarHBondContact O-N 3.38Å; F513-S515 VanDerWaalsContact C-N 3.3Å; F513-S515 PolarHBondContact O-N 3.4Å; S515-L519 VanDerWaalsContact O-CD1 3.31Å; S515-L519 WeakPolarHBondContact O-CD1 3.31Å; S515-Y689 WeakPolarHBondContact CB-OH 3.5Å; S515-Y689 PolarHBondContact OG-OH 3.14Å
516R90.6Very high93.4Very high137 Ų13742.8 Ų42.852%0.51719%0.19SC..Hα-helixtrans-94.6-38.6178.5-74.8178.9-177.4-173.7-2112.4R512 F513 I514 D551R512-R516 WeakPolarHBondContact O-CG 3.25Å; R512-R516 PolarHBondContact O-N 2.87Å; F513-R516 PolarHBondContact O-N 3.46Å; F513-R516 VanDerWaalsContact O-N 3.08Å; I514-R516 PolarHBondContact O-N 3.07Å; R516-D551 IonicContact NH1-OD1 2.68Å; R516-D551 PolarHBondContact NH1-OD1 3.45Å; R516-D551 IonicContact NH1-OD2 3.28Å; R516-D551 PolarHBondContact NH1-OD2 3.08Å
517H90.6Very high93.3Very high77 Ų7745.4 Ų45.436%0.35621%0.206SC..Hα-helixtrans-122.2-14.9-165.3-57.3-58.6000113.9F513 I514 D551 M557F513-H517 PolarHBondContact O-N 3.28Å; I514-H517 PolarHBondContact O-N 2.97Å; H517-D551 IonicContact CE1-OD1 2.76Å; H517-D551 IonicContact NE2-OD1 3.24Å; H517-D551 PolarHBondContact NE2-OD1 2.89Å; H517-M557 HydrophobicContact CB-CE 3.41Å; H517-M557 VanDerWaalsContact CB-CE 3.41Å; H517-M557 HydrophobicContact CB-SD 4.41Å
518G90.9Very high93Very high0 Ų050 Ų500%024%0.238CC..  trans-116.96.8-17000000115.6I514 Q520 H521I514-G518 CarbonylContact O-C 3.48Å; I514-G518 VanDerWaalsContact O-CA 3.27Å; I514-G518 WeakPolarHBondContact O-CA 3.22Å; I514-G518 PolarHBondContact O-N 3.3Å; G518-Q520 VanDerWaalsContact C-N 3.28Å; G518-Q520 PolarHBondContact O-N 2.86Å; G518-H521 WeakPolarHBondContact O-CB 3.5Å; G518-H521 PolarHBondContact O-N 2.86Å
519L93.9Very high92.8Very high24 Ų2446.4 Ų46.413%0.12622%0.224CC..THydrogen-bonded Turntrans-65.1-30.5-177.7-67.9179.1000113.2I514 S515 L625 F628 N632I514-L519 PolarHBondContact O-N 2.91Å; S515-L519 VanDerWaalsContact O-CD1 3.31Å; S515-L519 WeakPolarHBondContact O-CD1 3.31Å; L519-L625 HydrophobicContact CD2-CD1 3.66Å; L519-F628 HydrophobicContact CB-CD1 4.38Å; L519-F628 HydrophobicContact CB-CD2 4.15Å; L519-F628 HydrophobicContact CB-CE2 4.37Å; L519-F628 HydrophobicContact CB-CG 4.16Å; L519-F628 HydrophobicContact CD1-CD2 4.28Å; L519-F628 HydrophobicContact CD1-CE2 3.73Å; L519-F628 HydrophobicContact CD1-CZ 3.87Å; L519-F628 HydrophobicContact CD2-CD2 4.38Å; L519-F628 HydrophobicContact CD2-CE2 4.48Å; L519-F628 HydrophobicContact CG-CE2 4.43Å; L519-F628 WeakPolarHBondContact O-CB 3.36Å; L519-N632 WeakPolarHBondContact O-CB 3.33Å; L519-N632 PolarHBondContact O-ND2 3.46Å
520Q91.6Very high92.8Very high117 Ų11749.1 Ų49.155%0.54724%0.242SC..THydrogen-bonded Turntrans-102.84.2179.9-60.6174.3-42.700112.4G518 E522 F628 E631G518-Q520 VanDerWaalsContact C-N 3.28Å; G518-Q520 PolarHBondContact O-N 2.86Å; Q520-E522 PolarHBondContact O-N 3.17Å; Q520-F628 HydrophobicContact CG-CD1 4.36Å; Q520-E631 HydrophobicContact CB-CB 4.3Å; Q520-E631 HydrophobicContact CG-CB 4.35Å; Q520-E631 WeakPolarHBondContact CG-OE2 3.23Å; Q520-E631 PolarHBondContact NE2-OE1 2.87Å; Q520-E631 PolarHBondContact NE2-OE2 2.83Å
521H93.4Very high92.6Very high57 Ų5754.8 Ų54.826%0.26427%0.269SS..  trans-72.2115.9-178.2-172.9-66.6000110.5G518 G523 I524 M557 D558 N632G518-H521 WeakPolarHBondContact O-CB 3.5Å; G518-H521 PolarHBondContact O-N 2.86Å; H521-G523 PolarHBondContact O-N 2.8Å; H521-I524 HydrophobicContact CB-CB 4.32Å; H521-I524 HydrophobicContact CB-CD1 4.44Å; H521-I524 WeakPolarHBondContact O-CB 3.05Å; H521-I524 PolarHBondContact O-N 3.27Å; H521-M557 VanDerWaalsContact CD2-CB 3.46Å; H521-M557 WeakPolarHBondContact CD2-CB 3.45Å; H521-D558 IonicContact CE1-OD1 2.67Å; H521-D558 PolarHBondContact CE1-OD1 3.35Å; H521-D558 IonicContact CE1-OD2 3.76Å; H521-D558 PolarHBondContact CE1-OD2 3.22Å; H521-D558 IonicContact ND1-OD1 2.78Å; H521-N632 WeakPolarHBondContact O-CB 3.33Å
522E93.5Very high92.4Very high134 Ų13459.6 Ų59.663%0.62630%0.298SS*.THydrogen-bonded Turntrans-56.5130.7-178-167.3-178.3154.300111.5Q520 I524 M633Q520-E522 PolarHBondContact O-N 3.17Å; E522-I524 PolarHBondContact O-N 3.05Å; E522-M633 HydrophobicContact CG-CB 4.49Å; E522-M633 HydrophobicContact CG-CG 4.01Å
523G90.8Very high92.5Very high7 Ų759 Ų597%0.07230%0.298CS..THydrogen-bonded Turntrans66.119.5175.700000115H521 F525 R526 V527 N632H521-G523 PolarHBondContact O-N 2.8Å; G523-F525 PolarHBondContact O-N 3.04Å; G523-R526 WeakPolarHBondContact O-CA 3.31Å; G523-R526 VanDerWaalsContact O-CB 3.29Å; G523-R526 WeakPolarHBondContact O-CB 3.22Å; G523-R526 PolarHBondContact O-N 3.13Å; G523-V527 PolarHBondContact O-N 3.39Å; G523-N632 PolarHBondContact N-O 3.47Å
524I94.5Very high92.5Very high0 Ų059.1 Ų59.10%030%0.298CS..THydrogen-bonded Turntrans-51.5132177.6-169.467.8000111.1I514 H521 E522 R526 M557 A561 L625 N632 M634I514-I524 HydrophobicContact CG2-CG1 4.26Å; H521-I524 HydrophobicContact CB-CB 4.32Å; H521-I524 HydrophobicContact CB-CD1 4.44Å; H521-I524 WeakPolarHBondContact O-CB 3.05Å; H521-I524 PolarHBondContact O-N 3.27Å; E522-I524 PolarHBondContact O-N 3.05Å; I524-R526 PolarHBondContact O-N 3.32Å; I524-M557 HydrophobicContact CD1-CB 4.17Å; I524-A561 HydrophobicContact CD1-CB 3.76Å; I524-A561 HydrophobicContact CG1-CB 4.32Å; I524-L625 HydrophobicContact CG2-CD1 4.13Å; I524-L625 HydrophobicContact CG2-CD2 4.09Å; I524-L625 HydrophobicContact CG2-CG 4.45Å; I524-N632 HydrophobicContact CG2-CB 4.41Å; I524-M634 HydrophobicContact CG2-CG 4.2Å; I524-M634 WeakPolarHBondContact O-CE 3.46Å; I524-M634 WeakPolarHBondContact O-CG 3.47Å
525F96.2Very high92.4Very high1 Ų162.3 Ų62.30%0.00432%0.316CS..THydrogen-bonded Turntrans70.1-17.5-168-56.7-73.5000117.3I514 G523 A561 L564 K565 F621 L625 L639 C642 F643I514-F525 HydrophobicContact CD1-CE1 4.14Å; I514-F525 HydrophobicContact CD1-CZ 3.67Å; G523-F525 PolarHBondContact O-N 3.04Å; F525-A561 HydrophobicContact CD1-CB 3.61Å; F525-A561 HydrophobicContact CE1-CB 3.68Å; F525-A561 HydrophobicContact CG-CB 4.23Å; F525-A561 HydrophobicContact CZ-CB 4.36Å; F525-L564 HydrophobicContact CE1-CB 4.37Å; F525-L564 HydrophobicContact CE1-CD2 3.97Å; F525-L564 HydrophobicContact CZ-CD2 3.93Å; F525-K565 HydrophobicContact CB-CD 4.34Å; F525-K565 HydrophobicContact CD1-CD 4.07Å; F525-K565 HydrophobicContact CD1-CG 3.89Å; F525-K565 HydrophobicContact CE1-CG 4.46Å; F525-K565 PolarHBondContact O-NZ 3.29Å; F525-F621 HydrophobicContact CE2-CE1 4.08Å; F525-F621 HydrophobicContact CE2-CZ 4.3Å; F525-F621 AromaticContact CZ-CE1 3.97Å; F525-F621 HydrophobicContact CZ-CE1 3.97Å; F525-F621 HydrophobicContact CZ-CZ 4.35Å; F525-L625 HydrophobicContact CD2-CD2 3.83Å; F525-L625 HydrophobicContact CE2-CD2 3.54Å; F525-L639 HydrophobicContact CD2-CD2 4.08Å; F525-C642 HydrophobicContact CB-CB 4.18Å; F525-F643 HydrophobicContact CB-CE2 4.19Å; F525-F643 AromaticContact CD1-CE2 3.59Å; F525-F643 HydrophobicContact CD1-CE2 3.59Å; F525-F643 AromaticContact CD1-CZ 3.67Å; F525-F643 HydrophobicContact CD1-CZ 3.67Å; F525-F643 AromaticContact CD2-CE2 3.8Å; F525-F643 HydrophobicContact CD2-CE2 3.8Å; F525-F643 HydrophobicContact CD2-CZ 4.43Å; F525-F643 AromaticContact CE1-CE2 3.83Å; F525-F643 HydrophobicContact CE1-CE2 3.83Å; F525-F643 AromaticContact CE1-CZ 3.51Å; F525-F643 HydrophobicContact CE1-CZ 3.51Å; F525-F643 HydrophobicContact CE2-CE2 4.02Å; F525-F643 HydrophobicContact CE2-CZ 4.28Å; F525-F643 AromaticContact CG-CE2 3.59Å; F525-F643 HydrophobicContact CG-CE2 3.59Å; F525-F643 HydrophobicContact CG-CZ 4.15Å; F525-F643 HydrophobicContact CZ-CE2 4.03Å; F525-F643 AromaticContact CZ-CZ 3.83Å; F525-F643 HydrophobicContact CZ-CZ 3.83Å
526R94.2Very high92.4Very high169 Ų16966 Ų6664%0.63833%0.334SS*.THydrogen-bonded Turntrans-86.1-45.4173.1178.3-177.9174.2-171.5-4111.2G523 I524 M634G523-R526 WeakPolarHBondContact O-CA 3.31Å; G523-R526 VanDerWaalsContact O-CB 3.29Å; G523-R526 WeakPolarHBondContact O-CB 3.22Å; G523-R526 PolarHBondContact O-N 3.13Å; I524-R526 PolarHBondContact O-N 3.32Å; R526-M634 HydrophobicContact CB-CE 3.96Å; R526-M634 HydrophobicContact CB-SD 3.81Å
527V91.8Very high92.5Very high70 Ų7059.7 Ų59.742%0.42431%0.311SS..SBendtrans-72.2142.6176-175.80000109.5G523 D558G523-V527 PolarHBondContact O-N 3.39Å; V527-D558 WeakPolarHBondContact CB-OD2 3.38Å; V527-D558 VanDerWaalsContact CG1-OD2 3.25Å; V527-D558 WeakPolarHBondContact CG1-OD2 3.37Å
528S89.1Confident92.6Very high96 Ų9659.2 Ų59.267%0.67131%0.307SS*.PPolyproline II helixtrans-94.1121-179.3-66.20000110.2
529G89.3Confident92.6Very high9 Ų962 Ų629%0.09332%0.322CS..PPolyproline II helixtrans-68.8169.4172.700000113.8Q531G529-Q531 PolarHBondContact O-N 3.18Å; G529-Q531 PolarHBondContact O-NE2 3.06Å
530S93.2Very high92.5Very high60 Ų6061.2 Ų61.242%0.4232%0.319SS..PPolyproline II helixtrans-59119.1177.7173.90000111V532 E533 V534 S559S530-V532 PolarHBondContact O-N 3.19Å; S530-E533 PolarHBondContact O-N 3.39Å; S530-E533 VanDerWaalsContact O-N 3.11Å; S530-V534 VanDerWaalsContact O-CG2 3.28Å; S530-V534 WeakPolarHBondContact O-CG2 3.33Å; S530-V534 PolarHBondContact O-N 3.46Å; S530-S559 PolarHBondContact N-OG 3.22Å; S530-S559 VanDerWaalsContact N-OG 3.16Å
531Q92.3Very high92.5Very high119 Ų11957 Ų5756%0.55630%0.299SS*.Hα-helixtrans-62.2-28.5-178.4-65.2-56.2-59.200113G529 N535G529-Q531 PolarHBondContact O-N 3.18Å; G529-Q531 PolarHBondContact O-NE2 3.06Å; Q531-N535 WeakPolarHBondContact O-CB 3.42Å; Q531-N535 PolarHBondContact O-N 2.78Å; Q531-N535 PolarHBondContact O-ND2 3.48Å
532V91.6Very high92.3Very high101 Ų10160.3 Ų60.361%0.61232%0.315SS*.Hα-helixtrans-66.5-49.9175.2179.10000109.5S530 N535 D536S530-V532 PolarHBondContact O-N 3.19Å; V532-N535 PolarHBondContact O-N 3.15Å; V532-D536 VanDerWaalsContact O-CG 3.27Å; V532-D536 PolarHBondContact O-N 2.83Å
533E93.2Very high92Very high41 Ų4161.3 Ų61.319%0.19231%0.313CS..Hα-helixtrans-68.9-40-177.9-170.5177.4-16100112.5S530 N535 D536 I537 H555 D556 S559S530-E533 PolarHBondContact O-N 3.39Å; S530-E533 VanDerWaalsContact O-N 3.11Å; E533-N535 VanDerWaalsContact C-N 3.28Å; E533-N535 PolarHBondContact O-N 3.45Å; E533-D536 PolarHBondContact O-N 3.41Å; E533-I537 HydrophobicContact CG-CD1 3.88Å; E533-I537 HydrophobicContact CG-CG1 4.34Å; E533-I537 WeakPolarHBondContact O-CB 3.45Å; E533-I537 VanDerWaalsContact O-CG1 3.29Å; E533-I537 WeakPolarHBondContact O-CG1 3.37Å; E533-I537 PolarHBondContact O-N 3.22Å; E533-H555 VanDerWaalsContact OE1-CA 3.31Å; E533-H555 WeakPolarHBondContact OE1-CA 3.29Å; E533-H555 IonicContact OE1-CG 3.75Å; E533-H555 IonicContact OE1-ND1 3.95Å; E533-H555 PolarHBondContact OE1-ND1 3.1Å; E533-D556 PolarHBondContact OE1-N 3.08Å; E533-D556 VanDerWaalsContact OE2-CB 3.31Å; E533-D556 WeakPolarHBondContact OE2-CB 3.38Å; E533-S559 WeakPolarHBondContact OE2-CB 3.3Å; E533-S559 PolarHBondContact OE2-OG 3.25Å
534V94.1Very high91.7Very high4 Ų464 Ų642%0.02434%0.341CS..Hα-helixtrans-54.8-45.9172170.90000110.7S530 K538 S559 V563 L566S530-V534 VanDerWaalsContact O-CG2 3.28Å; S530-V534 WeakPolarHBondContact O-CG2 3.33Å; S530-V534 PolarHBondContact O-N 3.46Å; V534-K538 VanDerWaalsContact O-CB 3.23Å; V534-K538 WeakPolarHBondContact O-CB 3.36Å; V534-K538 PolarHBondContact O-N 3.01Å; V534-S559 WeakPolarHBondContact CG2-O 3.49Å; V534-V563 HydrophobicContact CB-CG2 4.34Å; V534-V563 HydrophobicContact CG1-CG2 3.98Å; V534-V563 WeakPolarHBondContact O-CG2 2.95Å; V534-L566 HydrophobicContact CG1-CD2 3.86Å
535N92.2Very high91.4Very high68 Ų6868.8 Ų68.836%0.36436%0.363SS..Hα-helixtrans-69.9-37.5178.7-76.7-49.5000112.1Q531 V532 E533 K538 N539Q531-N535 WeakPolarHBondContact O-CB 3.42Å; Q531-N535 PolarHBondContact O-N 2.78Å; Q531-N535 PolarHBondContact O-ND2 3.48Å; V532-N535 PolarHBondContact O-N 3.15Å; E533-N535 VanDerWaalsContact C-N 3.28Å; E533-N535 PolarHBondContact O-N 3.45Å; N535-K538 PolarHBondContact O-N 3.2Å; N535-N539 VanDerWaalsContact O-CB 3.24Å; N535-N539 WeakPolarHBondContact O-CB 3.45Å; N535-N539 PolarHBondContact O-N 3.07Å; N535-N539 PolarHBondContact O-ND2 2.94Å
536D92.8Very high91.1Very high96 Ų9670.7 Ų70.751%0.51337%0.374SS..Hα-helixtrans-65.3-46.1178.4-72-22.2000112V532 E533 N539 A540V532-D536 VanDerWaalsContact O-CG 3.27Å; V532-D536 PolarHBondContact O-N 2.83Å; E533-D536 PolarHBondContact O-N 3.41Å; D536-N539 PolarHBondContact O-N 2.82Å; D536-A540 PolarHBondContact O-N 3.27Å
537I93Very high90.9Very high4 Ų464.5 Ų64.52%0.02136%0.355CS..Hα-helixtrans-62.9-46.1175.3-64.5169.5000110.1E533 N539 A540 F541 P547 H555 I560 V563E533-I537 HydrophobicContact CG-CD1 3.88Å; E533-I537 HydrophobicContact CG-CG1 4.34Å; E533-I537 WeakPolarHBondContact O-CB 3.45Å; E533-I537 VanDerWaalsContact O-CG1 3.29Å; E533-I537 WeakPolarHBondContact O-CG1 3.37Å; E533-I537 PolarHBondContact O-N 3.22Å; I537-N539 PolarHBondContact O-N 3.34Å; I537-A540 WeakPolarHBondContact O-CB 3.32Å; I537-A540 PolarHBondContact O-N 2.97Å; I537-F541 HydrophobicContact CG2-CD2 3.99Å; I537-F541 HydrophobicContact CG2-CE2 3.73Å; I537-F541 VanDerWaalsContact O-CD2 3.31Å; I537-F541 WeakPolarHBondContact O-CD2 3.47Å; I537-F541 PolarHBondContact O-N 2.73Å; I537-F541 VanDerWaalsContact O-N 3.13Å; I537-P547 HydrophobicContact CG2-CG 3.78Å; I537-H555 HydrophobicContact CD1-CB 4.34Å; I537-I560 HydrophobicContact CD1-CG1 4.2Å; I537-V563 HydrophobicContact CB-CG2 3.82Å; I537-V563 HydrophobicContact CG2-CB 4.4Å; I537-V563 HydrophobicContact CG2-CG1 4.15Å; I537-V563 HydrophobicContact CG2-CG2 3.75Å
538K92.3Very high90.8Very high66 Ų6661.2 Ų61.229%0.28734%0.335SS..Hα-helixtrans-56.7-48.8175.1173.2-179.9174.1-74.30111.6V534 N535 A540 F541 E542 L566V534-K538 VanDerWaalsContact O-CB 3.23Å; V534-K538 WeakPolarHBondContact O-CB 3.36Å; V534-K538 PolarHBondContact O-N 3.01Å; N535-K538 PolarHBondContact O-N 3.2Å; K538-A540 VanDerWaalsContact C-N 3.28Å; K538-A540 PolarHBondContact O-N 2.61Å; K538-F541 PolarHBondContact O-N 3.21Å; K538-E542 VanDerWaalsContact CE-OE1 3.28Å; K538-E542 WeakPolarHBondContact CE-OE1 3.47Å; K538-E542 VanDerWaalsContact NZ-CD 3.25Å; K538-E542 IonicContact NZ-OE1 2.92Å; K538-E542 PolarHBondContact NZ-OE1 3.43Å; K538-E542 IonicContact NZ-OE2 2.68Å; K538-E542 PolarHBondContact NZ-OE2 3.09Å; K538-E542 WeakPolarHBondContact O-CG 3.43Å; K538-E542 PolarHBondContact O-N 3.3Å; K538-L566 HydrophobicContact CD-CD2 3.76Å; K538-L566 HydrophobicContact CD-CG 4.45Å
539N92.3Very high90.5Very high58 Ų5860 Ų6031%0.3133%0.331SS..Hα-helixtrans-65.6-31.7-178.5-69.3-26.4000111.7N535 D536 I537 E542 R543N535-N539 VanDerWaalsContact O-CB 3.24Å; N535-N539 WeakPolarHBondContact O-CB 3.45Å; N535-N539 PolarHBondContact O-N 3.07Å; N535-N539 PolarHBondContact O-ND2 2.94Å; D536-N539 PolarHBondContact O-N 2.82Å; I537-N539 PolarHBondContact O-N 3.34Å; N539-E542 PolarHBondContact O-N 3.23Å; N539-E542 PolarHBondContact OD1-OE2 2.98Å; N539-R543 WeakPolarHBondContact O-CG 3.26Å; N539-R543 PolarHBondContact O-N 3.16Å; N539-R543 PolarHBondContact O-NH1 3.14Å
540A90.4Very high89.7Confident8 Ų861.5 Ų61.57%0.06635%0.346CS..Hα-helixtrans-63.8-47.8172.700000111.7D536 I537 K538 E542 R543 G544 E545 P547D536-A540 PolarHBondContact O-N 3.27Å; I537-A540 WeakPolarHBondContact O-CB 3.32Å; I537-A540 PolarHBondContact O-N 2.97Å; K538-A540 VanDerWaalsContact C-N 3.28Å; K538-A540 PolarHBondContact O-N 2.61Å; A540-E542 VanDerWaalsContact C-N 3.31Å; A540-E542 PolarHBondContact O-N 3.21Å; A540-R543 VanDerWaalsContact CA-NH2 3.32Å; A540-R543 PolarHBondContact O-N 3.32Å; A540-R543 VanDerWaalsContact O-N 3.12Å; A540-G544 PolarHBondContact O-N 2.94Å; A540-E545 CarbonylContact C-O 3.22Å; A540-E545 HydrophobicContact CB-CB 4.35Å; A540-E545 WeakPolarHBondContact O-CB 3.32Å; A540-E545 PolarHBondContact O-N 3.41Å; A540-P547 HydrophobicContact CB-CB 4.2Å; A540-P547 HydrophobicContact CB-CG 3.95Å
541F92.4Very high88.4Confident28 Ų2863.1 Ų63.112%0.12335%0.35CS..Hα-helixtrans-59.2-40173-77.1-64000112.6L505 V506 I537 K538 R543 G544 E545 D546 P547 L548 V563L505-F541 HydrophobicContact CG-CE1 4.33Å; V506-F541 HydrophobicContact CB-CB 4.44Å; V506-F541 HydrophobicContact CB-CD1 4.07Å; V506-F541 HydrophobicContact CB-CD2 4.18Å; V506-F541 HydrophobicContact CB-CE1 4.34Å; V506-F541 HydrophobicContact CB-CE2 4.44Å; V506-F541 HydrophobicContact CB-CG 3.99Å; V506-F541 HydrophobicContact CG2-CD1 4.48Å; V506-F541 HydrophobicContact CG2-CD2 3.7Å; V506-F541 HydrophobicContact CG2-CE2 3.92Å; V506-F541 HydrophobicContact CG2-CG 4Å; V506-F541 HydrophobicContact CG2-CZ 4.41Å; I537-F541 HydrophobicContact CG2-CD2 3.99Å; I537-F541 HydrophobicContact CG2-CE2 3.73Å; I537-F541 VanDerWaalsContact O-CD2 3.31Å; I537-F541 WeakPolarHBondContact O-CD2 3.47Å; I537-F541 PolarHBondContact O-N 2.73Å; I537-F541 VanDerWaalsContact O-N 3.13Å; K538-F541 PolarHBondContact O-N 3.21Å; F541-R543 VanDerWaalsContact C-N 3.3Å; F541-R543 PolarHBondContact O-N 2.75Å; F541-G544 PolarHBondContact O-N 3.17Å; F541-E545 WeakPolarHBondContact CA-O 3.44Å; F541-E545 WeakPolarHBondContact CD1-O 3.19Å; F541-D546 HydrophobicContact CE1-CB 4.33Å; F541-D546 WeakPolarHBondContact CE1-OD1 3.14Å; F541-P547 HydrophobicContact CD2-CG 4.08Å; F541-P547 HydrophobicContact CE2-CG 3.74Å; F541-P547 HydrophobicContact CZ-CG 3.99Å; F541-L548 HydrophobicContact CE2-CD1 4.42Å; F541-L548 HydrophobicContact CZ-CD1 4.25Å; F541-L548 HydrophobicContact CZ-CG 4.29Å; F541-V563 HydrophobicContact CD2-CG1 4.44Å
542E88.4Confident87.2Confident128 Ų12864 Ų6460%0.59835%0.354SS*.Hα-helixtrans-66.7-27.9176.6-72.9-179.9165.400113.4K538 N539 A540 G544K538-E542 VanDerWaalsContact CE-OE1 3.28Å; K538-E542 WeakPolarHBondContact CE-OE1 3.47Å; K538-E542 VanDerWaalsContact NZ-CD 3.25Å; K538-E542 IonicContact NZ-OE1 2.92Å; K538-E542 PolarHBondContact NZ-OE1 3.43Å; K538-E542 IonicContact NZ-OE2 2.68Å; K538-E542 PolarHBondContact NZ-OE2 3.09Å; K538-E542 WeakPolarHBondContact O-CG 3.43Å; K538-E542 PolarHBondContact O-N 3.3Å; N539-E542 PolarHBondContact O-N 3.23Å; N539-E542 PolarHBondContact OD1-OE2 2.98Å; A540-E542 VanDerWaalsContact C-N 3.31Å; A540-E542 PolarHBondContact O-N 3.21Å; E542-G544 PolarHBondContact O-N 3.12Å
543R88.4Confident86.1Confident154 Ų15463.9 Ų63.958%0.58135%0.35SS*.THydrogen-bonded Turntrans-77.3-6.5170.8-70.6-173.9-54.8-91.23.3113.4N539 A540 F541 E545N539-R543 WeakPolarHBondContact O-CG 3.26Å; N539-R543 PolarHBondContact O-N 3.16Å; N539-R543 PolarHBondContact O-NH1 3.14Å; A540-R543 VanDerWaalsContact CA-NH2 3.32Å; A540-R543 PolarHBondContact O-N 3.32Å; A540-R543 VanDerWaalsContact O-N 3.12Å; F541-R543 VanDerWaalsContact C-N 3.3Å; F541-R543 PolarHBondContact O-N 2.75Å; R543-E545 HydrophobicContact CB-CG 4.47Å; R543-E545 IonicContact CZ-OE2 3.85Å; R543-E545 IonicContact NE-OE1 3.94Å; R543-E545 IonicContact NE-OE2 3.51Å; R543-E545 PolarHBondContact NE-OE2 2.7Å; R543-E545 VanDerWaalsContact NE-OE2 3.16Å; R543-E545 IonicContact NH2-OE2 2.75Å; R543-E545 PolarHBondContact NH2-OE2 3.5Å
544G84.3Confident85.2Confident64 Ų6467.5 Ų67.566%0.6637%0.371SS*.THydrogen-bonded Turntrans84.216.4-176.600000114.2A540 F541 E542A540-G544 PolarHBondContact O-N 2.94Å; F541-G544 PolarHBondContact O-N 3.17Å; E542-G544 PolarHBondContact O-N 3.12Å
545E88.6Confident84.7Confident100 Ų10070 Ų7047%0.46738%0.382SS..  trans-90.9149.3172.9-61.9163.4173.700109.3A540 F541 R543 P547A540-E545 CarbonylContact C-O 3.22Å; A540-E545 HydrophobicContact CB-CB 4.35Å; A540-E545 WeakPolarHBondContact O-CB 3.32Å; A540-E545 PolarHBondContact O-N 3.41Å; F541-E545 WeakPolarHBondContact CA-O 3.44Å; F541-E545 WeakPolarHBondContact CD1-O 3.19Å; R543-E545 HydrophobicContact CB-CG 4.47Å; R543-E545 IonicContact CZ-OE2 3.85Å; R543-E545 IonicContact NE-OE1 3.94Å; R543-E545 IonicContact NE-OE2 3.51Å; R543-E545 PolarHBondContact NE-OE2 2.7Å; R543-E545 VanDerWaalsContact NE-OE2 3.16Å; R543-E545 IonicContact NH2-OE2 2.75Å; R543-E545 PolarHBondContact NH2-OE2 3.5Å; E545-P547 WeakPolarHBondContact O-CD 3.47Å
546D90Very high84.6Confident42 Ų4269.9 Ų69.923%0.22538%0.381CS..  trans-107.795.4168.4-176.1-1.6000109.1L505 S509 F541 L548 A549L505-D546 HydrophobicContact CD2-CB 4.2Å; S509-D546 PolarHBondContact OG-OD1 3.4Å; S509-D546 PolarHBondContact OG-OD2 2.96Å; F541-D546 HydrophobicContact CE1-CB 4.33Å; F541-D546 WeakPolarHBondContact CE1-OD1 3.14Å; D546-L548 PolarHBondContact O-N 3.41Å; D546-L548 PolarHBondContact OD1-N 3.35Å; D546-A549 HydrophobicContact CB-CB 3.99Å; D546-A549 WeakPolarHBondContact O-CB 3.37Å; D546-A549 PolarHBondContact O-N 3.26Å; D546-A549 PolarHBondContact OD1-N 2.96Å
547P89.1Confident84.7Confident39 Ų3965.8 Ų65.825%0.25336%0.36SS..THydrogen-bonded Turntrans-64.3-17.4179.827.6-35.2000112.6I537 A540 F541 E545I537-P547 HydrophobicContact CG2-CG 3.78Å; A540-P547 HydrophobicContact CB-CB 4.2Å; A540-P547 HydrophobicContact CB-CG 3.95Å; F541-P547 HydrophobicContact CD2-CG 4.08Å; F541-P547 HydrophobicContact CE2-CG 3.74Å; F541-P547 HydrophobicContact CZ-CG 3.99Å; E545-P547 WeakPolarHBondContact O-CD 3.47Å
548L89.5Confident84.8Confident1 Ų166.4 Ų66.41%0.00536%0.363CS..THydrogen-bonded Turntrans-1039.2-177.3-54.1-179.1000112.7R512 F513 F541 D546 G550 I560R512-L548 PolarHBondContact NH2-O 3.31Å; F513-L548 HydrophobicContact CB-CD1 4.34Å; F513-L548 HydrophobicContact CD2-CB 4.3Å; F541-L548 HydrophobicContact CE2-CD1 4.42Å; F541-L548 HydrophobicContact CZ-CD1 4.25Å; F541-L548 HydrophobicContact CZ-CG 4.29Å; D546-L548 PolarHBondContact O-N 3.41Å; D546-L548 PolarHBondContact OD1-N 3.35Å; L548-G550 PolarHBondContact O-N 3.48Å; L548-I560 HydrophobicContact CD1-CG1 4.35Å; L548-I560 HydrophobicContact CD1-CG2 3.81Å; L548-I560 HydrophobicContact CD2-CD1 3.93Å; L548-I560 HydrophobicContact CD2-CG1 4.02Å
549A82.7Confident84.9Confident70 Ų7063.2 Ų63.258%0.57935%0.349SS*.SBendtrans-63.5-24.1-176.900000113.8D546D546-A549 HydrophobicContact CB-CB 3.99Å; D546-A549 WeakPolarHBondContact O-CB 3.37Å; D546-A549 PolarHBondContact O-N 3.26Å; D546-A549 PolarHBondContact OD1-N 2.96Å
550G74.1Confident85.1Confident40 Ų4060.5 Ų60.541%0.41233%0.334SS..SBendtrans-88.3159173.400000113L548 Q552L548-G550 PolarHBondContact O-N 3.48Å; G550-Q552 VanDerWaalsContact C-N 3.26Å
551D65.1Low85.3Confident94 Ų9460.1 Ų60.150%0.50333%0.331SS..  trans-89.817.9171.1-103.9-25.2000112.3R516 H517R516-D551 IonicContact NH1-OD1 2.68Å; R516-D551 PolarHBondContact NH1-OD1 3.45Å; R516-D551 IonicContact NH1-OD2 3.28Å; R516-D551 PolarHBondContact NH1-OD2 3.08Å; H517-D551 IonicContact CE1-OD1 2.76Å; H517-D551 IonicContact NE2-OD1 3.24Å; H517-D551 PolarHBondContact NE2-OD1 2.89Å
552Q67.2Low85.5Confident137 Ų13759.4 Ų59.464%0.6433%0.332SS*.  trans-81128.3175.2-68.1-174.791.400109.4G550 D554G550-Q552 VanDerWaalsContact C-N 3.26Å; Q552-D554 PolarHBondContact O-N 3.35Å
553N67.6Low85.9Confident99 Ų9953.5 Ų53.553%0.52931%0.305SS..  trans-85.953.4-176.1-145.920.6000111.3F513 M557F513-N553 WeakPolarHBondContact CE1-OD1 3.27Å; F513-N553 WeakPolarHBondContact CZ-OD1 3.41Å; N553-M557 WeakPolarHBondContact OD1-CE 3.26Å
554D75.3Confident86.2Confident118 Ų11846.1 Ų46.163%0.63128%0.277SS*.  trans-86.8-8.3-173.1-64.7-24.1000113Q552Q552-D554 PolarHBondContact O-N 3.35Å
555H84.2Confident86.8Confident56 Ų5645 Ų4526%0.25925%0.254SS..SBendtrans-115143.4-177-68.4-55.8000111.5E533 I537 I560E533-H555 VanDerWaalsContact OE1-CA 3.31Å; E533-H555 WeakPolarHBondContact OE1-CA 3.29Å; E533-H555 IonicContact OE1-CG 3.75Å; E533-H555 IonicContact OE1-ND1 3.95Å; E533-H555 PolarHBondContact OE1-ND1 3.1Å; I537-H555 HydrophobicContact CD1-CB 4.34Å; H555-I560 HydrophobicContact CB-CD1 3.77Å; H555-I560 HydrophobicContact CB-CG1 4.14Å
556D89.6Confident87Confident65 Ų6543 Ų4335%0.34825%0.246SC..  trans-64.4136.7173.7176.163.2000111.7E533 D558 S559 I560E533-D556 PolarHBondContact OE1-N 3.08Å; E533-D556 VanDerWaalsContact OE2-CB 3.31Å; E533-D556 WeakPolarHBondContact OE2-CB 3.38Å; D556-D558 PolarHBondContact O-N 2.84Å; D556-D558 WeakPolarHBondContact OD2-CB 3.45Å; D556-D558 PolarHBondContact OD2-N 3Å; D556-S559 WeakPolarHBondContact O-CB 3.41Å; D556-S559 PolarHBondContact O-N 3.49Å; D556-S559 PolarHBondContact OD2-N 3.03Å; D556-S559 PolarHBondContact OD2-OG 2.93Å; D556-I560 WeakPolarHBondContact O-CG1 3.37Å; D556-I560 PolarHBondContact O-N 3.48Å; D556-I560 VanDerWaalsContact O-N 3.11Å
557M93.7Very high87.2Confident11 Ų1144.4 Ų44.45%0.05425%0.249CC..Hα-helixtrans-66.6-39-177.2-76.4-64.7157.500112.2F513 H517 H521 I524 N553 S559 I560 A561F513-M557 HydrophobicContact CD1-CE 3.89Å; F513-M557 HydrophobicContact CD1-SD 4.08Å; F513-M557 HydrophobicContact CE1-CE 3.32Å; F513-M557 HydrophobicContact CE1-SD 4Å; F513-M557 HydrophobicContact CZ-CE 4.28Å; H517-M557 HydrophobicContact CB-CE 3.41Å; H517-M557 VanDerWaalsContact CB-CE 3.41Å; H517-M557 HydrophobicContact CB-SD 4.41Å; H521-M557 VanDerWaalsContact CD2-CB 3.46Å; H521-M557 WeakPolarHBondContact CD2-CB 3.45Å; I524-M557 HydrophobicContact CD1-CB 4.17Å; N553-M557 WeakPolarHBondContact OD1-CE 3.26Å; M557-S559 VanDerWaalsContact C-N 3.29Å; M557-S559 PolarHBondContact O-N 3.03Å; M557-I560 PolarHBondContact O-N 3.07Å; M557-A561 WeakPolarHBondContact O-CB 3.31Å; M557-A561 PolarHBondContact O-N 2.97Å
558D95.2Very high87.5Confident16 Ų1642.8 Ų42.89%0.08624%0.237CC..Hα-helixtrans-69.1-31.7178.7-66.2-41.9000111.2H521 V527 D556 G562H521-D558 IonicContact CE1-OD1 2.67Å; H521-D558 PolarHBondContact CE1-OD1 3.35Å; H521-D558 IonicContact CE1-OD2 3.76Å; H521-D558 PolarHBondContact CE1-OD2 3.22Å; H521-D558 IonicContact ND1-OD1 2.78Å; V527-D558 WeakPolarHBondContact CB-OD2 3.38Å; V527-D558 VanDerWaalsContact CG1-OD2 3.25Å; V527-D558 WeakPolarHBondContact CG1-OD2 3.37Å; D556-D558 PolarHBondContact O-N 2.84Å; D556-D558 WeakPolarHBondContact OD2-CB 3.45Å; D556-D558 PolarHBondContact OD2-N 3Å; D558-G562 PolarHBondContact O-N 2.96Å
559S95.5Very high87.6Confident0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-62.8-46.4169.8-68.60000111.7S530 E533 V534 D556 M557 G562 V563S530-S559 PolarHBondContact N-OG 3.22Å; S530-S559 VanDerWaalsContact N-OG 3.16Å; E533-S559 WeakPolarHBondContact OE2-CB 3.3Å; E533-S559 PolarHBondContact OE2-OG 3.25Å; V534-S559 WeakPolarHBondContact CG2-O 3.49Å; D556-S559 WeakPolarHBondContact O-CB 3.41Å; D556-S559 PolarHBondContact O-N 3.49Å; D556-S559 PolarHBondContact OD2-N 3.03Å; D556-S559 PolarHBondContact OD2-OG 2.93Å; M557-S559 VanDerWaalsContact C-N 3.29Å; M557-S559 PolarHBondContact O-N 3.03Å; S559-G562 PolarHBondContact O-N 2.89Å; S559-V563 WeakPolarHBondContact O-CG2 3.48Å; S559-V563 PolarHBondContact O-N 3.36Å
560I95.4Very high87.8Confident0 Ų051.2 Ų51.20%027%0.274CS..Hα-helixtrans-65.1-43.2177.5-64.7160000111.3C510 F513 I514 I537 L548 H555 D556 M557 G562 V563 L564C510-I560 HydrophobicContact CB-CG2 4.2Å; F513-I560 HydrophobicContact CD1-CD1 3.46Å; F513-I560 VanDerWaalsContact CD1-CD1 3.46Å; F513-I560 HydrophobicContact CE1-CD1 3.33Å; F513-I560 HydrophobicContact CG-CD1 4.34Å; F513-I560 HydrophobicContact CZ-CD1 4.21Å; I514-I560 HydrophobicContact CD1-CG2 4.16Å; I514-I560 HydrophobicContact CG1-CG2 4.01Å; I537-I560 HydrophobicContact CD1-CG1 4.2Å; L548-I560 HydrophobicContact CD1-CG1 4.35Å; L548-I560 HydrophobicContact CD1-CG2 3.81Å; L548-I560 HydrophobicContact CD2-CD1 3.93Å; L548-I560 HydrophobicContact CD2-CG1 4.02Å; H555-I560 HydrophobicContact CB-CD1 3.77Å; H555-I560 HydrophobicContact CB-CG1 4.14Å; D556-I560 WeakPolarHBondContact O-CG1 3.37Å; D556-I560 PolarHBondContact O-N 3.48Å; D556-I560 VanDerWaalsContact O-N 3.11Å; M557-I560 PolarHBondContact O-N 3.07Å; I560-G562 VanDerWaalsContact C-N 3.28Å; I560-G562 PolarHBondContact O-N 3.11Å; I560-V563 PolarHBondContact O-N 3.34Å; I560-L564 PolarHBondContact O-N 3.33Å
561A95.8Very high88.5Confident0 Ų051.5 Ų51.50%027%0.265CS..Hα-helixtrans-60.8-38.4173.900000111.9I514 I524 F525 M557 L564 K565I514-A561 HydrophobicContact CD1-CB 4.34Å; I524-A561 HydrophobicContact CD1-CB 3.76Å; I524-A561 HydrophobicContact CG1-CB 4.32Å; F525-A561 HydrophobicContact CD1-CB 3.61Å; F525-A561 HydrophobicContact CE1-CB 3.68Å; F525-A561 HydrophobicContact CG-CB 4.23Å; F525-A561 HydrophobicContact CZ-CB 4.36Å; M557-A561 WeakPolarHBondContact O-CB 3.31Å; M557-A561 PolarHBondContact O-N 2.97Å; A561-L564 PolarHBondContact O-N 2.75Å; A561-K565 PolarHBondContact O-N 2.88Å
562G95.8Very high89.3Confident14 Ų1455.5 Ų55.514%0.14428%0.281CS..Hα-helixtrans-60.2-45.2173.200000112.9D558 S559 I560 L564 K565 L566D558-G562 PolarHBondContact O-N 2.96Å; S559-G562 PolarHBondContact O-N 2.89Å; I560-G562 VanDerWaalsContact C-N 3.28Å; I560-G562 PolarHBondContact O-N 3.11Å; G562-L564 PolarHBondContact O-N 2.94Å; G562-K565 PolarHBondContact O-N 2.87Å; G562-L566 VanDerWaalsContact O-CB 3.25Å; G562-L566 WeakPolarHBondContact O-CB 3.33Å; G562-L566 PolarHBondContact O-N 3.48Å
563V96.5Very high90Very high3 Ų355.9 Ų55.92%0.01828%0.283CS..Hα-helixtrans-60.8-43.8177.3173.80000111.4V506 V534 I537 F541 S559 I560 L566 Y567V506-V563 HydrophobicContact CG2-CG1 3.96Å; V534-V563 HydrophobicContact CB-CG2 4.34Å; V534-V563 HydrophobicContact CG1-CG2 3.98Å; V534-V563 WeakPolarHBondContact O-CG2 2.95Å; I537-V563 HydrophobicContact CB-CG2 3.82Å; I537-V563 HydrophobicContact CG2-CB 4.4Å; I537-V563 HydrophobicContact CG2-CG1 4.15Å; I537-V563 HydrophobicContact CG2-CG2 3.75Å; F541-V563 HydrophobicContact CD2-CG1 4.44Å; S559-V563 WeakPolarHBondContact O-CG2 3.48Å; S559-V563 PolarHBondContact O-N 3.36Å; I560-V563 PolarHBondContact O-N 3.34Å; V563-L566 PolarHBondContact O-N 2.94Å; V563-Y567 WeakPolarHBondContact O-CB 3.46Å; V563-Y567 PolarHBondContact O-N 3.28Å
564L96.2Very high91Very high0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-62.5-45.4178.7-175.661.2000111.9V507 C510 I511 I514 F525 I560 A561 G562 Y567 F568 F621V507-L564 HydrophobicContact CB-CD1 4.47Å; V507-L564 HydrophobicContact CG1-CD1 4.37Å; V507-L564 HydrophobicContact CG2-CD1 4.4Å; C510-L564 HydrophobicContact CB-CB 4.03Å; C510-L564 HydrophobicContact CB-CD1 4.1Å; C510-L564 HydrophobicContact CB-CD2 4.44Å; C510-L564 HydrophobicContact CB-CG 4.42Å; I511-L564 HydrophobicContact CG1-CD1 4.41Å; I511-L564 HydrophobicContact CG1-CD2 3.79Å; I514-L564 HydrophobicContact CD1-CD2 4.37Å; F525-L564 HydrophobicContact CE1-CB 4.37Å; F525-L564 HydrophobicContact CE1-CD2 3.97Å; F525-L564 HydrophobicContact CZ-CD2 3.93Å; I560-L564 PolarHBondContact O-N 3.33Å; A561-L564 PolarHBondContact O-N 2.75Å; G562-L564 PolarHBondContact O-N 2.94Å; L564-Y567 PolarHBondContact O-N 3.18Å; L564-F568 HydrophobicContact CD1-CD2 4.29Å; L564-F568 HydrophobicContact CD1-CE2 3.67Å; L564-F568 HydrophobicContact CG-CD2 4.48Å; L564-F568 HydrophobicContact CG-CE2 4.15Å; L564-F568 VanDerWaalsContact O-CD2 3.27Å; L564-F568 WeakPolarHBondContact O-CD2 3.31Å; L564-F568 PolarHBondContact O-N 3.44Å; L564-F621 HydrophobicContact CD2-CE1 4.5Å
565K95.6Very high91.7Very high40 Ų4048 Ų4817%0.17424%0.243CC..Hα-helixtrans-63-44.1175.3-72-171.9-62.9175.60111.7F525 A561 G562 Y567 F568 R569 F643F525-K565 HydrophobicContact CB-CD 4.34Å; F525-K565 HydrophobicContact CD1-CD 4.07Å; F525-K565 HydrophobicContact CD1-CG 3.89Å; F525-K565 HydrophobicContact CE1-CG 4.46Å; F525-K565 PolarHBondContact O-NZ 3.29Å; A561-K565 PolarHBondContact O-N 2.88Å; G562-K565 PolarHBondContact O-N 2.87Å; K565-Y567 VanDerWaalsContact C-N 3.3Å; K565-Y567 PolarHBondContact O-N 3.43Å; K565-F568 PolarHBondContact O-N 2.89Å; K565-R569 WeakPolarHBondContact O-CB 3.46Å; K565-R569 PolarHBondContact O-N 3.49Å; K565-F643 HydrophobicContact CG-CE1 4.22Å; K565-F643 HydrophobicContact CG-CZ 4.16Å
566L93.4Very high92.1Very high58 Ų5845.5 Ų45.530%0.30423%0.231SC..Hα-helixtrans-63.7-37.3-179.1-176.159.7000111.7V534 K538 G562 V563 R569 G570V534-L566 HydrophobicContact CG1-CD2 3.86Å; K538-L566 HydrophobicContact CD-CD2 3.76Å; K538-L566 HydrophobicContact CD-CG 4.45Å; G562-L566 VanDerWaalsContact O-CB 3.25Å; G562-L566 WeakPolarHBondContact O-CB 3.33Å; G562-L566 PolarHBondContact O-N 3.48Å; V563-L566 PolarHBondContact O-N 2.94Å; L566-R569 PolarHBondContact O-N 2.99Å; L566-G570 PolarHBondContact O-N 3.4Å
567Y94.5Very high92.2Very high72 Ų7244.2 Ų44.228%0.28223%0.227SC..Hα-helixtrans-58-51.8175176.8-102.6000111.7P504 V506 V507 V563 L564 K565 R569 G570 L571P504-Y567 HydrophobicContact CB-CE1 4.32Å; P504-Y567 VanDerWaalsContact CB-OH 3.26Å; P504-Y567 WeakPolarHBondContact CB-OH 3.49Å; P504-Y567 HydrophobicContact CG-CE1 4.28Å; P504-Y567 WeakPolarHBondContact CG-OH 3.23Å; V506-Y567 HydrophobicContact CG1-CD1 3.99Å; V506-Y567 HydrophobicContact CG1-CD2 3.32Å; V506-Y567 HydrophobicContact CG1-CE1 4.05Å; V506-Y567 HydrophobicContact CG1-CE2 3.38Å; V506-Y567 HydrophobicContact CG1-CG 3.63Å; V507-Y567 HydrophobicContact CG2-CD1 3.44Å; V507-Y567 VanDerWaalsContact CG2-CD1 3.44Å; V507-Y567 HydrophobicContact CG2-CE1 3.27Å; V507-Y567 HydrophobicContact CG2-CG 4.48Å; V563-Y567 WeakPolarHBondContact O-CB 3.46Å; V563-Y567 PolarHBondContact O-N 3.28Å; L564-Y567 PolarHBondContact O-N 3.18Å; K565-Y567 VanDerWaalsContact C-N 3.3Å; K565-Y567 PolarHBondContact O-N 3.43Å; Y567-R569 PolarHBondContact O-N 3.03Å; Y567-G570 PolarHBondContact O-N 3.39Å; Y567-L571 HydrophobicContact CE1-CD2 3.9Å; Y567-L571 HydrophobicContact CE2-CD2 4.19Å; Y567-L571 WeakPolarHBondContact O-CG 3.4Å; Y567-L571 PolarHBondContact O-N 3.05Å
568F94.4Very high91.9Very high4 Ų448.5 Ų48.52%0.01825%0.245CC..Hα-helixtrans-66.3-37.9179.8-73.2-67000113V507 L564 K565 G570 L571 L575 I614 L618 S646 L647V507-F568 HydrophobicContact CG1-CZ 3.97Å; V507-F568 HydrophobicContact CG2-CE1 4.33Å; V507-F568 HydrophobicContact CG2-CE2 4.28Å; V507-F568 HydrophobicContact CG2-CZ 3.78Å; L564-F568 HydrophobicContact CD1-CD2 4.29Å; L564-F568 HydrophobicContact CD1-CE2 3.67Å; L564-F568 HydrophobicContact CG-CD2 4.48Å; L564-F568 HydrophobicContact CG-CE2 4.15Å; L564-F568 VanDerWaalsContact O-CD2 3.27Å; L564-F568 WeakPolarHBondContact O-CD2 3.31Å; L564-F568 PolarHBondContact O-N 3.44Å; K565-F568 PolarHBondContact O-N 2.89Å; F568-G570 VanDerWaalsContact C-N 3.28Å; F568-G570 PolarHBondContact O-N 2.78Å; F568-L571 HydrophobicContact CD1-CD1 3.91Å; F568-L571 PolarHBondContact O-N 3.34Å; F568-L575 HydrophobicContact CD1-CD2 4.22Å; F568-L575 HydrophobicContact CE1-CD1 4.33Å; F568-L575 HydrophobicContact CE1-CD2 4.11Å; F568-I614 HydrophobicContact CE1-CG2 3.81Å; F568-I614 HydrophobicContact CZ-CG2 4.17Å; F568-L618 HydrophobicContact CD2-CD2 4.38Å; F568-L618 HydrophobicContact CE1-CD2 4.31Å; F568-L618 HydrophobicContact CE2-CD1 3.93Å; F568-L618 HydrophobicContact CE2-CD2 3.87Å; F568-L618 HydrophobicContact CE2-CG 4.46Å; F568-L618 HydrophobicContact CZ-CD1 4.29Å; F568-L618 HydrophobicContact CZ-CD2 3.84Å; F568-L618 HydrophobicContact CZ-CG 4.45Å; F568-S646 CarbonylContact C-O 3.57Å; F568-L647 HydrophobicContact CB-CD2 3.83Å; F568-L647 HydrophobicContact CD1-CD2 4.13Å; F568-L647 HydrophobicContact CD2-CD2 4.29Å; F568-L647 HydrophobicContact CG-CD2 3.83Å
569R92.7Very high91.6Very high187 Ų18754.8 Ų54.871%0.70628%0.278SS*.Hα-helixtrans-64.8-32.7175.6-175.3178.4178-179.11112.5K565 L566 Y567 S646K565-R569 WeakPolarHBondContact O-CB 3.46Å; K565-R569 PolarHBondContact O-N 3.49Å; L566-R569 PolarHBondContact O-N 2.99Å; Y567-R569 PolarHBondContact O-N 3.03Å; R569-S646 PolarHBondContact N-O 2.69Å
570G87.1Confident91.4Very high62 Ų6255.5 Ų55.564%0.63928%0.282SS*.THydrogen-bonded Turntrans-90.95-176.900000115.3L566 Y567 F568 E572L566-G570 PolarHBondContact O-N 3.4Å; Y567-G570 PolarHBondContact O-N 3.39Å; F568-G570 VanDerWaalsContact C-N 3.28Å; F568-G570 PolarHBondContact O-N 2.78Å; G570-E572 PolarHBondContact O-N 2.96Å
571L86.9Confident91.2Very high45 Ų4555.7 Ų55.724%0.23628%0.283CS..  trans-65.4131177.1-67.8175.9000110.8Y567 F568 H573Y567-L571 HydrophobicContact CE1-CD2 3.9Å; Y567-L571 HydrophobicContact CE2-CD2 4.19Å; Y567-L571 WeakPolarHBondContact O-CG 3.4Å; Y567-L571 PolarHBondContact O-N 3.05Å; F568-L571 HydrophobicContact CD1-CD1 3.91Å; F568-L571 PolarHBondContact O-N 3.34Å; L571-H573 WeakPolarHBondContact CB-O 3.48Å; L571-H573 PolarHBondContact O-N 3.48Å
572E82.5Confident91Very high179 Ų17960.5 Ų60.584%0.83631%0.305SS*.SBendtrans-56.4-34.1173-173.8-178.5-172.100111.6G570G570-E572 PolarHBondContact O-N 2.96Å
573H82.8Confident90.8Very high145 Ų14564.4 Ų64.467%0.67132%0.323SS*.SBendtrans-117.8105.3172.8-58.872.5000107.9L571L571-H573 WeakPolarHBondContact CB-O 3.48Å; L571-H573 PolarHBondContact O-N 3.48Å
574P87.8Confident90.6Very high46 Ų4664.3 Ų64.330%0.29932%0.322SS..  trans-54.4149.9-178.8-27.234.5000112.2F576P574-F576 PolarHBondContact O-N 2.71Å
575L90.4Very high90.4Very high6 Ų665.5 Ų65.53%0.03133%0.328CS..SBendtrans-57.5-39.9-179.2-162.869.4000110.5F568 P577 T611 I614 M615 L618 L647F568-L575 HydrophobicContact CD1-CD2 4.22Å; F568-L575 HydrophobicContact CE1-CD1 4.33Å; F568-L575 HydrophobicContact CE1-CD2 4.11Å; L575-P577 WeakPolarHBondContact O-CD 3.46Å; L575-T611 HydrophobicContact CD1-CG2 3.97Å; L575-I614 HydrophobicContact CD1-CB 4.34Å; L575-I614 HydrophobicContact CD1-CG2 3.92Å; L575-M615 HydrophobicContact CD1-CG 4Å; L575-M615 HydrophobicContact CD2-CG 3.78Å; L575-M615 HydrophobicContact CG-CE 3.81Å; L575-M615 HydrophobicContact CG-CG 3.74Å; L575-M615 WeakPolarHBondContact O-CE 3.34Å; L575-L618 HydrophobicContact CD2-CD2 4.03Å; L575-L647 HydrophobicContact CB-CD2 4.4Å; L575-L647 HydrophobicContact CD2-CD2 3.82Å
576F93.3Very high90.2Very high3 Ų366.4 Ų66.41%0.01334%0.343CS..SBendtrans-104.2104.6167.6-64.6-97000110.5P574 L584 L604 M615 F619 L647 M648 I667 I670P574-F576 PolarHBondContact O-N 2.71Å; F576-L584 HydrophobicContact CD1-CD1 3.75Å; F576-L584 HydrophobicContact CE1-CD1 4.35Å; F576-L604 HydrophobicContact CD1-CD2 4.04Å; F576-L604 HydrophobicContact CE1-CD2 3.79Å; F576-M615 HydrophobicContact CD1-CE 3.96Å; F576-M615 HydrophobicContact CD2-CE 4.15Å; F576-M615 HydrophobicContact CE1-CE 3.92Å; F576-M615 HydrophobicContact CE2-CE 4.1Å; F576-M615 HydrophobicContact CG-CE 4.08Å; F576-M615 HydrophobicContact CZ-CE 3.99Å; F576-F619 HydrophobicContact CE2-CE2 4.01Å; F576-F619 HydrophobicContact CE2-CZ 4.03Å; F576-F619 AromaticContact CZ-CE2 3.79Å; F576-F619 HydrophobicContact CZ-CE2 3.79Å; F576-F619 AromaticContact CZ-CZ 3.85Å; F576-F619 HydrophobicContact CZ-CZ 3.85Å; F576-L647 HydrophobicContact CD2-CB 3.91Å; F576-L647 WeakPolarHBondContact CD2-O 3.47Å; F576-L647 HydrophobicContact CE2-CB 4Å; F576-L647 HydrophobicContact CE2-CD1 4.29Å; F576-L647 PolarHBondContact N-O 2.63Å; F576-M648 HydrophobicContact CB-CB 4.1Å; F576-M648 HydrophobicContact CB-CE 3.51Å; F576-M648 HydrophobicContact CB-CG 4.2Å; F576-M648 HydrophobicContact CD1-CE 3.56Å; F576-M648 HydrophobicContact CD2-CE 4.46Å; F576-M648 HydrophobicContact CE1-CE 4.37Å; F576-M648 HydrophobicContact CG-CB 4.48Å; F576-M648 HydrophobicContact CG-CE 3.6Å; F576-I667 HydrophobicContact CE2-CD1 3.93Å; F576-I667 HydrophobicContact CZ-CD1 4.03Å; F576-I670 HydrophobicContact CE1-CD1 3.71Å; F576-I670 HydrophobicContact CZ-CD1 3.71Å
577P90.6Very high90.1Very high38 Ų3864 Ų6425%0.24733%0.331CS..  trans-61.5147.4178-24.835.5000112.8L575 D579 I580 L607L575-P577 WeakPolarHBondContact O-CD 3.46Å; P577-D579 PolarHBondContact O-N 2.97Å; P577-D579 VanDerWaalsContact O-N 3.16Å; P577-I580 VanDerWaalsContact O-CG1 3.25Å; P577-I580 WeakPolarHBondContact O-CG1 3.46Å; P577-I580 PolarHBondContact O-N 3.01Å; P577-L607 HydrophobicContact CG-CD2 3.69Å
578K87.2Confident89.8Confident100 Ų10061.1 Ų61.144%0.43532%0.321SS..G310 helixtrans-58.2-29.8178.3-66.4-176.4177.5-177.20112.5I580 F581 P651 E652K578-I580 VanDerWaalsContact C-N 3.26Å; K578-I580 PolarHBondContact O-N 3.36Å; K578-F581 WeakPolarHBondContact O-CB 3.46Å; K578-F581 PolarHBondContact O-N 3.01Å; K578-F581 VanDerWaalsContact O-N 3.14Å; K578-P651 HydrophobicContact CB-CG 4.47Å; K578-E652 IonicContact NZ-OE1 3.62Å
579D88.9Confident89.4Confident148 Ų14865.9 Ų65.979%0.79135%0.35SS*.G310 helixtrans-63.8-28-176.4-56-37000113.6P577P577-D579 PolarHBondContact O-N 2.97Å; P577-D579 VanDerWaalsContact O-N 3.16Å
580I92.2Very high89.3Confident16 Ų1659 Ų598%0.08233%0.327CS..G310 helixtrans-98.52.3179.563.2166.4000113P577 K578 H582 D583 L584 V603 L604 L607P577-I580 VanDerWaalsContact O-CG1 3.25Å; P577-I580 WeakPolarHBondContact O-CG1 3.46Å; P577-I580 PolarHBondContact O-N 3.01Å; K578-I580 VanDerWaalsContact C-N 3.26Å; K578-I580 PolarHBondContact O-N 3.36Å; I580-H582 PolarHBondContact O-N 2.99Å; I580-D583 PolarHBondContact O-N 3.16Å; I580-L584 HydrophobicContact CD1-CD1 3.71Å; I580-L584 HydrophobicContact CD1-CG 4.45Å; I580-L584 HydrophobicContact CG1-CD1 3.91Å; I580-L584 VanDerWaalsContact O-CG 3.32Å; I580-L584 WeakPolarHBondContact O-CG 3.4Å; I580-L584 PolarHBondContact O-N 2.88Å; I580-V603 HydrophobicContact CB-CG1 3.94Å; I580-V603 HydrophobicContact CD1-CG1 4.44Å; I580-V603 HydrophobicContact CG2-CG1 4.33Å; I580-L604 HydrophobicContact CD1-CD2 4.02Å; I580-L607 HydrophobicContact CD1-CD1 3.92Å; I580-L607 HydrophobicContact CD1-CD2 3.98Å; I580-L607 HydrophobicContact CD1-CG 4.17Å
581F90.9Very high89.1Confident3 Ų363.9 Ų63.91%0.01334%0.338CS..Hα-helixtrans-58.8-50-174.3-178.9-93.9000112.1K578 D583 L584 M585 M648 V650 P651 C659 V663K578-F581 WeakPolarHBondContact O-CB 3.46Å; K578-F581 PolarHBondContact O-N 3.01Å; K578-F581 VanDerWaalsContact O-N 3.14Å; F581-D583 PolarHBondContact O-N 3.39Å; F581-L584 PolarHBondContact O-N 3.39Å; F581-M585 HydrophobicContact CD1-CG 3.9Å; F581-M585 HydrophobicContact CE1-CG 3.5Å; F581-M585 HydrophobicContact CE1-SD 4.32Å; F581-M585 HydrophobicContact CE2-CE 4.18Å; F581-M585 HydrophobicContact CE2-CG 4.24Å; F581-M585 HydrophobicContact CE2-SD 4.23Å; F581-M585 HydrophobicContact CG-CG 4.42Å; F581-M585 HydrophobicContact CZ-CE 4.43Å; F581-M585 HydrophobicContact CZ-CG 3.69Å; F581-M585 HydrophobicContact CZ-SD 3.88Å; F581-M585 WeakPolarHBondContact O-CG 3.25Å; F581-M585 PolarHBondContact O-N 3.16Å; F581-M648 HydrophobicContact CD2-CG 3.87Å; F581-M648 HydrophobicContact CD2-SD 3.53Å; F581-M648 VanDerWaalsContact CD2-SD 3.53Å; F581-M648 HydrophobicContact CE2-CG 4.08Å; F581-M648 HydrophobicContact CE2-SD 3.67Å; F581-V650 HydrophobicContact CZ-CG1 4.21Å; F581-V650 HydrophobicContact CZ-CG2 4.44Å; F581-P651 HydrophobicContact CB-CG 3.81Å; F581-P651 VanDerWaalsContact CD1-CD 3.45Å; F581-P651 HydrophobicContact CD1-CG 3.61Å; F581-P651 HydrophobicContact CD2-CG 4.09Å; F581-P651 HydrophobicContact CE1-CG 4.17Å; F581-P651 VanDerWaalsContact CG-CD 3.46Å; F581-P651 HydrophobicContact CG-CG 3.56Å; F581-C659 HydrophobicContact CZ-CB 4.36Å; F581-V663 HydrophobicContact CE2-CG2 3.99Å; F581-V663 HydrophobicContact CZ-CG2 4.4Å
582H90.5Very high89.3Confident102 Ų10264.8 Ų64.847%0.47234%0.343SS..Hα-helixtrans-63.1-42.1-177.6-64.683.6000111.9I580 L584 M585 A586 H654I580-H582 PolarHBondContact O-N 2.99Å; H582-L584 VanDerWaalsContact C-N 3.3Å; H582-L584 PolarHBondContact O-N 3.14Å; H582-M585 PolarHBondContact O-N 2.71Å; H582-A586 WeakPolarHBondContact O-CB 3.35Å; H582-A586 PolarHBondContact O-N 2.98Å; H582-H654 AromaticContact CD2-NE2 3.8Å; H582-H654 AromaticContact CE1-CE1 3.99Å; H582-H654 AromaticContact NE2-CE1 3.23Å; H582-H654 PolarHBondContact NE2-CE1 3.28Å; H582-H654 AromaticContact NE2-NE2 3.31Å; H582-H654 PolarHBondContact NE2-NE2 2.95Å
583D92.3Very high89.5Confident96 Ų9658.9 Ų58.951%0.51332%0.317SS..Hα-helixtrans-64.2-37.2177.7-67.9-26.2000111.5I580 F581 C587 V603I580-D583 PolarHBondContact O-N 3.16Å; F581-D583 PolarHBondContact O-N 3.39Å; D583-C587 PolarHBondContact O-N 3.2Å; D583-C587 PolarHBondContact O-SG 3.45Å; D583-V603 HydrophobicContact CB-CG1 3.92Å; D583-V603 HydrophobicContact CB-CG2 3.93Å
584L93.2Very high89.8Confident0 Ų057.6 Ų57.60%031%0.311CS..Hα-helixtrans-71.5-40.5175.4-69.8173.8000112.4F576 I580 F581 H582 A586 C587 I600 V603 L604 M648 L666F576-L584 HydrophobicContact CD1-CD1 3.75Å; F576-L584 HydrophobicContact CE1-CD1 4.35Å; I580-L584 HydrophobicContact CD1-CD1 3.71Å; I580-L584 HydrophobicContact CD1-CG 4.45Å; I580-L584 HydrophobicContact CG1-CD1 3.91Å; I580-L584 VanDerWaalsContact O-CG 3.32Å; I580-L584 WeakPolarHBondContact O-CG 3.4Å; I580-L584 PolarHBondContact O-N 2.88Å; F581-L584 PolarHBondContact O-N 3.39Å; H582-L584 VanDerWaalsContact C-N 3.3Å; H582-L584 PolarHBondContact O-N 3.14Å; L584-A586 VanDerWaalsContact C-N 3.31Å; L584-A586 PolarHBondContact O-N 3.21Å; L584-C587 VanDerWaalsContact O-CB 3.32Å; L584-C587 WeakPolarHBondContact O-CB 3.49Å; L584-C587 PolarHBondContact O-N 3.08Å; L584-C587 VanDerWaalsContact O-N 3.12Å; L584-I600 HydrophobicContact CD2-CG2 4.23Å; L584-V603 HydrophobicContact CD2-CB 4Å; L584-V603 HydrophobicContact CD2-CG1 3.75Å; L584-V603 HydrophobicContact CG-CG1 3.87Å; L584-L604 HydrophobicContact CD1-CD2 4.37Å; L584-L604 HydrophobicContact CD2-CD2 4.21Å; L584-M648 HydrophobicContact CD1-CE 3.45Å; L584-M648 VanDerWaalsContact CD1-CE 3.45Å; L584-L666 HydrophobicContact CB-CD1 4.4Å; L584-L666 HydrophobicContact CB-CD2 3.76Å; L584-L666 HydrophobicContact CD1-CD2 4.16Å; L584-L666 HydrophobicContact CD2-CD1 4.37Å; L584-L666 HydrophobicContact CG-CD2 4.38Å
585M91.9Very high89.9Confident26 Ų2660.3 Ų60.313%0.12832%0.32CS..Hα-helixtrans-63.9-37.9176.3-68.1-55.998.800111.6F581 H582 C587 V588 M648 H662 V663 L666F581-M585 HydrophobicContact CD1-CG 3.9Å; F581-M585 HydrophobicContact CE1-CG 3.5Å; F581-M585 HydrophobicContact CE1-SD 4.32Å; F581-M585 HydrophobicContact CE2-CE 4.18Å; F581-M585 HydrophobicContact CE2-CG 4.24Å; F581-M585 HydrophobicContact CE2-SD 4.23Å; F581-M585 HydrophobicContact CG-CG 4.42Å; F581-M585 HydrophobicContact CZ-CE 4.43Å; F581-M585 HydrophobicContact CZ-CG 3.69Å; F581-M585 HydrophobicContact CZ-SD 3.88Å; F581-M585 WeakPolarHBondContact O-CG 3.25Å; F581-M585 PolarHBondContact O-N 3.16Å; H582-M585 PolarHBondContact O-N 2.71Å; M585-C587 PolarHBondContact O-N 3.09Å; M585-V588 WeakPolarHBondContact O-CB 3.33Å; M585-V588 PolarHBondContact O-N 3.45Å; M585-M648 HydrophobicContact CE-SD 3.96Å; M585-H662 HydrophobicContact SD-CB 3.65Å; M585-V663 HydrophobicContact CE-CG2 4.01Å; M585-V663 HydrophobicContact SD-CG2 4.2Å; M585-L666 HydrophobicContact CE-CB 4.42Å; M585-L666 HydrophobicContact CE-CD2 3.69Å
586A90.1Very high90.1Very high59 Ų5961 Ų6149%0.48832%0.322SS..Hα-helixtrans-62.6-25.4174.300000113.2H582 L584 T589H582-A586 WeakPolarHBondContact O-CB 3.35Å; H582-A586 PolarHBondContact O-N 2.98Å; L584-A586 VanDerWaalsContact C-N 3.31Å; L584-A586 PolarHBondContact O-N 3.21Å; A586-T589 PolarHBondContact O-OG1 3.23Å
587C91.6Very high90.1Very high7 Ų761 Ų615%0.04732%0.323CS..Hα-helixtrans-70.9-33.3174.1-62.20000111.7D583 L584 M585 T589 M590 R596 I600D583-C587 PolarHBondContact O-N 3.2Å; D583-C587 PolarHBondContact O-SG 3.45Å; L584-C587 VanDerWaalsContact O-CB 3.32Å; L584-C587 WeakPolarHBondContact O-CB 3.49Å; L584-C587 PolarHBondContact O-N 3.08Å; L584-C587 VanDerWaalsContact O-N 3.12Å; M585-C587 PolarHBondContact O-N 3.09Å; C587-T589 PolarHBondContact O-N 2.9Å; C587-M590 WeakPolarHBondContact O-CB 3.49Å; C587-M590 WeakPolarHBondContact O-CG 3.31Å; C587-M590 PolarHBondContact O-N 3.36Å; C587-M590 VanDerWaalsContact O-N 3.13Å; C587-R596 HydrophobicContact CB-CG 4.44Å; C587-R596 WeakPolarHBondContact O-CG 3.48Å; C587-I600 HydrophobicContact CB-CG1 3.81Å
588V89.4Confident90.2Very high12 Ų1264.4 Ų64.47%0.07334%0.338CS..Hα-helixtrans-64.7-27.5-174.7-178.10000112.2M585 M590 R596 H662 E665 L666M585-V588 WeakPolarHBondContact O-CB 3.33Å; M585-V588 PolarHBondContact O-N 3.45Å; V588-M590 PolarHBondContact O-N 3.41Å; V588-R596 PolarHBondContact O-NH2 3.48Å; V588-H662 HydrophobicContact CG1-CB 4.27Å; V588-E665 HydrophobicContact CG1-CB 3.96Å; V588-E665 HydrophobicContact CG1-CG 3.82Å; V588-L666 HydrophobicContact CG2-CB 3.79Å; V588-L666 HydrophobicContact CG2-CD1 4.28Å
589T85.9Confident90.6Very high103 Ų10363.9 Ų63.963%0.63234%0.337SS*.THydrogen-bonded Turntrans-75.4-1.3178.360.20000114.2A586 C587A586-T589 PolarHBondContact O-OG1 3.23Å; C587-T589 PolarHBondContact O-N 2.9Å
590M89.1Confident90.9Very high44 Ų4456.8 Ų56.822%0.21730%0.299CS..  trans-85.7126.9178.9-59.5-178.476.400111.3C587 V588 E595 R596 H599C587-M590 WeakPolarHBondContact O-CB 3.49Å; C587-M590 WeakPolarHBondContact O-CG 3.31Å; C587-M590 PolarHBondContact O-N 3.36Å; C587-M590 VanDerWaalsContact O-N 3.13Å; V588-M590 PolarHBondContact O-N 3.41Å; M590-E595 HydrophobicContact CE-CB 3.98Å; M590-R596 HydrophobicContact CB-CB 4.25Å; M590-R596 VanDerWaalsContact O-CZ 3.23Å; M590-R596 PolarHBondContact O-NE 3.43Å; M590-R596 PolarHBondContact O-NH2 3.44Å; M590-H599 HydrophobicContact SD-CB 4.11Å
591D83.5Confident91.1Very high163 Ų16358.9 Ų58.987%0.87231%0.306SS*.SBendtrans-71.4-31.3-176.3-62.8-39.7000114
592N90.4Very high91.3Very high65 Ų6566.3 Ų66.335%0.34834%0.338SS..  trans-85.3116-177.5-177.7-37000111Q594 E595 R596N592-Q594 VanDerWaalsContact C-N 3.35Å; N592-Q594 PolarHBondContact O-N 3.07Å; N592-Q594 WeakPolarHBondContact OD1-CB 3.46Å; N592-Q594 PolarHBondContact OD1-N 3.45Å; N592-Q594 PolarHBondContact OD1-OE1 3.11Å; N592-Q594 VanDerWaalsContact OD1-OE1 3.11Å; N592-E595 HydrophobicContact CB-CB 4.05Å; N592-E595 HydrophobicContact CB-CG 4.14Å; N592-E595 PolarHBondContact O-N 2.69Å; N592-E595 PolarHBondContact OD1-N 3.18Å; N592-E595 VanDerWaalsContact OD1-N 3.12Å; N592-R596 VanDerWaalsContact O-CB 3.23Å; N592-R596 WeakPolarHBondContact O-CB 3.4Å; N592-R596 PolarHBondContact O-N 2.92Å
593L87.8Confident91.5Very high55 Ų5562.4 Ų62.429%0.28832%0.321SS..Hα-helixtrans-60.8-39.1-177.1-172.767.4000113.2A597 T669 Q673L593-A597 WeakPolarHBondContact O-CB 3.43Å; L593-A597 PolarHBondContact O-N 2.78Å; L593-T669 HydrophobicContact CD1-CG2 3.84Å; L593-Q673 HydrophobicContact CD1-CG 4.39Å; L593-Q673 HydrophobicContact CD2-CG 4.21Å; L593-Q673 HydrophobicContact CG-CG 4.04Å
594Q88.7Confident91.7Very high118 Ų11857.9 Ų57.955%0.55130%0.297SS*.Hα-helixtrans-71.2-42.8-180-69.278.34.100111.3N592 A597 L598N592-Q594 VanDerWaalsContact C-N 3.35Å; N592-Q594 PolarHBondContact O-N 3.07Å; N592-Q594 WeakPolarHBondContact OD1-CB 3.46Å; N592-Q594 PolarHBondContact OD1-N 3.45Å; N592-Q594 PolarHBondContact OD1-OE1 3.11Å; N592-Q594 VanDerWaalsContact OD1-OE1 3.11Å; Q594-A597 PolarHBondContact O-N 3.27Å; Q594-L598 WeakPolarHBondContact O-CG 3.42Å; Q594-L598 PolarHBondContact O-N 2.97Å; Q594-L598 VanDerWaalsContact O-N 3.08Å
595E90.4Very high91.7Very high102 Ų10262.2 Ų62.248%0.47732%0.32SS..Hα-helixtrans-66.3-39.9174.9-69.2-176.1173.700111.7M590 N592 L598 H599M590-E595 HydrophobicContact CE-CB 3.98Å; N592-E595 HydrophobicContact CB-CB 4.05Å; N592-E595 HydrophobicContact CB-CG 4.14Å; N592-E595 PolarHBondContact O-N 2.69Å; N592-E595 PolarHBondContact OD1-N 3.18Å; N592-E595 VanDerWaalsContact OD1-N 3.12Å; E595-L598 PolarHBondContact O-N 3.19Å; E595-H599 PolarHBondContact O-N 2.87Å; E595-H599 PolarHBondContact O-ND1 2.87Å
596R94.1Very high91.7Very high22 Ų2266.5 Ų66.58%0.08335%0.348CS..Hα-helixtrans-57.2-48.5173-175.6-174.1-60.1178.4-0.1110.7C587 V588 M590 N592 L598 H599 I600 E665 T669C587-R596 HydrophobicContact CB-CG 4.44Å; C587-R596 WeakPolarHBondContact O-CG 3.48Å; V588-R596 PolarHBondContact O-NH2 3.48Å; M590-R596 HydrophobicContact CB-CB 4.25Å; M590-R596 VanDerWaalsContact O-CZ 3.23Å; M590-R596 PolarHBondContact O-NE 3.43Å; M590-R596 PolarHBondContact O-NH2 3.44Å; N592-R596 VanDerWaalsContact O-CB 3.23Å; N592-R596 WeakPolarHBondContact O-CB 3.4Å; N592-R596 PolarHBondContact O-N 2.92Å; R596-L598 VanDerWaalsContact C-N 3.34Å; R596-L598 PolarHBondContact O-N 3.47Å; R596-H599 PolarHBondContact O-N 2.94Å; R596-I600 HydrophobicContact CG-CD1 3.88Å; R596-I600 VanDerWaalsContact O-CG1 3.29Å; R596-I600 WeakPolarHBondContact O-CG1 3.48Å; R596-I600 PolarHBondContact O-N 2.97Å; R596-E665 IonicContact NH1-OE1 2.94Å; R596-E665 PolarHBondContact NH1-OE1 3.07Å; R596-T669 HydrophobicContact CG-CG2 4.24Å; R596-T669 PolarHBondContact NH1-OG1 3.39Å
597A93.4Very high91.8Very high2 Ų264.5 Ų64.52%0.01733%0.328CS..Hα-helixtrans-59.5-40.8177.300000112.7L593 Q594 I600 R601 Q673 I677L593-A597 WeakPolarHBondContact O-CB 3.43Å; L593-A597 PolarHBondContact O-N 2.78Å; Q594-A597 PolarHBondContact O-N 3.27Å; A597-I600 PolarHBondContact O-N 2.95Å; A597-R601 WeakPolarHBondContact O-CB 3.48Å; A597-R601 PolarHBondContact O-N 3.49Å; A597-Q673 HydrophobicContact CB-CB 3.87Å; A597-Q673 HydrophobicContact CB-CG 4.11Å; A597-I677 HydrophobicContact CB-CD1 4.17Å; A597-I677 HydrophobicContact CB-CG1 3.87Å
598L93.2Very high91.9Very high109 Ų10968 Ų6857%0.57135%0.351SS*.Hα-helixtrans-64.8-38.6176.2-71.2173.7000112.7Q594 E595 R596 R601 K602Q594-L598 WeakPolarHBondContact O-CG 3.42Å; Q594-L598 PolarHBondContact O-N 2.97Å; Q594-L598 VanDerWaalsContact O-N 3.08Å; E595-L598 PolarHBondContact O-N 3.19Å; R596-L598 VanDerWaalsContact C-N 3.34Å; R596-L598 PolarHBondContact O-N 3.47Å; L598-R601 WeakPolarHBondContact O-CB 3.45Å; L598-K602 PolarHBondContact O-N 2.94Å; L598-K602 VanDerWaalsContact O-N 3.1Å
599H94.2Very high91.9Very high89 Ų8974.7 Ų74.741%0.41238%0.379SS..Hα-helixtrans-70.3-43.3176.4-74.378.3000111.6M590 E595 R596 R601 K602 V603M590-H599 HydrophobicContact SD-CB 4.11Å; E595-H599 PolarHBondContact O-N 2.87Å; E595-H599 PolarHBondContact O-ND1 2.87Å; R596-H599 PolarHBondContact O-N 2.94Å; H599-R601 VanDerWaalsContact C-N 3.3Å; H599-R601 PolarHBondContact O-N 3.44Å; H599-K602 WeakPolarHBondContact O-CB 3.48Å; H599-K602 PolarHBondContact O-N 3.5Å; H599-K602 VanDerWaalsContact O-N 3.1Å; H599-V603 WeakPolarHBondContact O-CG2 3.45Å; H599-V603 PolarHBondContact O-N 3.02Å
600I96.5Very high92.1Very high0 Ų073.8 Ų73.80%037%0.374CS..Hα-helixtrans-56.8-46.4173.2-67165.6000110.2L584 C587 R596 A597 K602 V603 L604 L666 T669 I670 I677L584-I600 HydrophobicContact CD2-CG2 4.23Å; C587-I600 HydrophobicContact CB-CG1 3.81Å; R596-I600 HydrophobicContact CG-CD1 3.88Å; R596-I600 VanDerWaalsContact O-CG1 3.29Å; R596-I600 WeakPolarHBondContact O-CG1 3.48Å; R596-I600 PolarHBondContact O-N 2.97Å; A597-I600 PolarHBondContact O-N 2.95Å; I600-K602 VanDerWaalsContact C-N 3.31Å; I600-K602 PolarHBondContact O-N 3.4Å; I600-V603 PolarHBondContact O-N 2.97Å; I600-V603 VanDerWaalsContact O-N 3.16Å; I600-L604 HydrophobicContact CG2-CD1 3.78Å; I600-L604 HydrophobicContact CG2-CG 4.08Å; I600-L604 WeakPolarHBondContact O-CG 3.38Å; I600-L604 PolarHBondContact O-N 3.49Å; I600-L666 HydrophobicContact CD1-CD1 3.61Å; I600-L666 HydrophobicContact CG1-CD1 3.9Å; I600-T669 HydrophobicContact CD1-CG2 3.67Å; I600-I670 HydrophobicContact CG2-CD1 4.24Å; I600-I670 HydrophobicContact CG2-CG1 4.05Å; I600-I677 HydrophobicContact CB-CD1 4.47Å; I600-I677 HydrophobicContact CD1-CD1 4.5Å; I600-I677 HydrophobicContact CG2-CD1 4.18Å; I600-I677 HydrophobicContact CG2-CG1 4.41Å; I600-I677 HydrophobicContact CG2-CG2 3.93Å
601R95.9Very high92.3Very high60 Ų6073.3 Ų73.323%0.22637%0.373CS..Hα-helixtrans-53.4-48.3174.5176.4162.2178.8168.70.8111.8A597 L598 H599 V603 L604 L605 N676 I677 E683A597-R601 WeakPolarHBondContact O-CB 3.48Å; A597-R601 PolarHBondContact O-N 3.49Å; L598-R601 WeakPolarHBondContact O-CB 3.45Å; H599-R601 VanDerWaalsContact C-N 3.3Å; H599-R601 PolarHBondContact O-N 3.44Å; R601-V603 VanDerWaalsContact C-N 3.3Å; R601-V603 PolarHBondContact O-N 2.97Å; R601-L604 PolarHBondContact O-N 3.46Å; R601-L605 HydrophobicContact CG-CD1 3.93Å; R601-L605 HydrophobicContact CG-CG 4.25Å; R601-L605 WeakPolarHBondContact O-CB 3.31Å; R601-L605 WeakPolarHBondContact O-CG 3.38Å; R601-L605 PolarHBondContact O-N 3.26Å; R601-N676 VanDerWaalsContact CD-O 3.23Å; R601-N676 WeakPolarHBondContact CD-O 3.41Å; R601-N676 PolarHBondContact NH1-O 3.28Å; R601-N676 VanDerWaalsContact NH1-O 3.1Å; R601-I677 WeakPolarHBondContact CB-O 3.4Å; R601-I677 WeakPolarHBondContact CD-O 3.41Å; R601-I677 WeakPolarHBondContact CG-O 3.39Å; R601-E683 IonicContact CZ-OE2 3.81Å; R601-E683 IonicContact NH2-OE1 2.7Å; R601-E683 IonicContact NH2-OE2 2.76Å; R601-E683 PolarHBondContact NH2-OE2 3.42Å
602K95.1Very high92.8Very high158 Ų15866 Ų6669%0.68733%0.334SS*.Hα-helixtrans-59.6-40.6-179.9-174.1-178.7175.6-173.60112.2L598 H599 I600L598-K602 PolarHBondContact O-N 2.94Å; L598-K602 VanDerWaalsContact O-N 3.1Å; H599-K602 WeakPolarHBondContact O-CB 3.48Å; H599-K602 PolarHBondContact O-N 3.5Å; H599-K602 VanDerWaalsContact O-N 3.1Å; I600-K602 VanDerWaalsContact C-N 3.31Å; I600-K602 PolarHBondContact O-N 3.4Å
603V95.6Very high92.9Very high20 Ų2063.5 Ų63.512%0.12132%0.321CS..Hα-helixtrans-69.3-46.2177.7178.90000111I580 D583 L584 H599 I600 R601 L605 V606I580-V603 HydrophobicContact CB-CG1 3.94Å; I580-V603 HydrophobicContact CD1-CG1 4.44Å; I580-V603 HydrophobicContact CG2-CG1 4.33Å; D583-V603 HydrophobicContact CB-CG1 3.92Å; D583-V603 HydrophobicContact CB-CG2 3.93Å; L584-V603 HydrophobicContact CD2-CB 4Å; L584-V603 HydrophobicContact CD2-CG1 3.75Å; L584-V603 HydrophobicContact CG-CG1 3.87Å; H599-V603 WeakPolarHBondContact O-CG2 3.45Å; H599-V603 PolarHBondContact O-N 3.02Å; I600-V603 PolarHBondContact O-N 2.97Å; I600-V603 VanDerWaalsContact O-N 3.16Å; R601-V603 VanDerWaalsContact C-N 3.3Å; R601-V603 PolarHBondContact O-N 2.97Å; V603-L605 VanDerWaalsContact C-N 3.33Å; V603-L605 PolarHBondContact O-N 3.32Å; V603-V606 PolarHBondContact O-N 3.46Å
604L95.3Very high93.2Very high1 Ų162 Ų621%0.00531%0.312CS..Hα-helixtrans-67.9-29.7-178.1-64.9-176.6000113.3F576 I580 L584 I600 R601 V606 L607 L612 M615 I677 F678F576-L604 HydrophobicContact CD1-CD2 4.04Å; F576-L604 HydrophobicContact CE1-CD2 3.79Å; I580-L604 HydrophobicContact CD1-CD2 4.02Å; L584-L604 HydrophobicContact CD1-CD2 4.37Å; L584-L604 HydrophobicContact CD2-CD2 4.21Å; I600-L604 HydrophobicContact CG2-CD1 3.78Å; I600-L604 HydrophobicContact CG2-CG 4.08Å; I600-L604 WeakPolarHBondContact O-CG 3.38Å; I600-L604 PolarHBondContact O-N 3.49Å; R601-L604 PolarHBondContact O-N 3.46Å; L604-V606 PolarHBondContact O-N 3.39Å; L604-L607 HydrophobicContact CD2-CD1 3.91Å; L604-L607 VanDerWaalsContact O-CB 3.25Å; L604-L607 WeakPolarHBondContact O-CB 3.49Å; L604-L607 WeakPolarHBondContact O-CG 3.43Å; L604-L607 PolarHBondContact O-N 2.84Å; L604-L612 HydrophobicContact CB-CD2 4.2Å; L604-L612 WeakPolarHBondContact O-CD2 3.4Å; L604-M615 HydrophobicContact CD1-SD 4.49Å; L604-M615 HydrophobicContact CD2-CE 4.42Å; L604-M615 HydrophobicContact CD2-SD 4.42Å; L604-I677 HydrophobicContact CD1-CG2 3.7Å; L604-F678 HydrophobicContact CD1-CE1 3.81Å; L604-F678 HydrophobicContact CD1-CZ 4.08Å
605L93.1Very high93.6Very high91 Ų9156.3 Ų56.348%0.47629%0.286SS..THydrogen-bonded Turntrans-61.9-12.1177.9-77.8174.1000114.5R601 V603 L607 L612 P679R601-L605 HydrophobicContact CG-CD1 3.93Å; R601-L605 HydrophobicContact CG-CG 4.25Å; R601-L605 WeakPolarHBondContact O-CB 3.31Å; R601-L605 WeakPolarHBondContact O-CG 3.38Å; R601-L605 PolarHBondContact O-N 3.26Å; V603-L605 VanDerWaalsContact C-N 3.33Å; V603-L605 PolarHBondContact O-N 3.32Å; L605-L607 VanDerWaalsContact C-N 3.28Å; L605-L612 HydrophobicContact CD2-CD1 4.41Å; L605-P679 HydrophobicContact CD2-CG 3.8Å
606V92.9Very high93.8Very high117 Ų11752.2 Ų52.271%0.70927%0.266SS*.THydrogen-bonded Turntrans-75.1-19.9172.5-176.20000111.8V603 L604V603-V606 PolarHBondContact O-N 3.46Å; L604-V606 PolarHBondContact O-N 3.39Å
607L92.4Very high93.8Very high16 Ų1652.3 Ų52.38%0.08427%0.267CS..SBendtrans-74.1155.7-177.5-61.9179.6000112.9P577 I580 L604 L605 T611 L612 M615P577-L607 HydrophobicContact CG-CD2 3.69Å; I580-L607 HydrophobicContact CD1-CD1 3.92Å; I580-L607 HydrophobicContact CD1-CD2 3.98Å; I580-L607 HydrophobicContact CD1-CG 4.17Å; L604-L607 HydrophobicContact CD2-CD1 3.91Å; L604-L607 VanDerWaalsContact O-CB 3.25Å; L604-L607 WeakPolarHBondContact O-CB 3.49Å; L604-L607 WeakPolarHBondContact O-CG 3.43Å; L604-L607 PolarHBondContact O-N 2.84Å; L605-L607 VanDerWaalsContact C-N 3.28Å; L607-T611 HydrophobicContact CD1-CG2 4.34Å; L607-L612 HydrophobicContact CB-CG 4.36Å; L607-M615 HydrophobicContact CD1-CE 3.49Å; L607-M615 VanDerWaalsContact CD1-CE 3.49Å; L607-M615 HydrophobicContact CD1-SD 4.06Å
608P92.9Very high94Very high81 Ų8152.2 Ų52.253%0.52627%0.266SS..  trans-55.3142.5175.6-24.834.3000112.5T610 T611 L612P608-T610 PolarHBondContact O-N 3.41Å; P608-T610 VanDerWaalsContact O-N 3.15Å; P608-T611 WeakPolarHBondContact O-CB 3.32Å; P608-T611 PolarHBondContact O-N 2.68Å; P608-L612 PolarHBondContact O-N 3.13Å
609K90.5Very high94.2Very high152 Ų15247 Ų4766%0.66124%0.239SC*.Hα-helixtrans-52-39.9178.9-71.9-172.6178.9-172.80112.9L612 I613 L684K609-L612 PolarHBondContact O-N 3.34Å; K609-I613 VanDerWaalsContact O-CG1 3.3Å; K609-I613 WeakPolarHBondContact O-CG1 3.3Å; K609-I613 PolarHBondContact O-N 3.28Å; K609-L684 HydrophobicContact CB-CD1 3.98Å; K609-L684 HydrophobicContact CD-CD1 3.86Å; K609-L684 HydrophobicContact CG-CD1 3.86Å
610T89.7Confident94.3Very high84 Ų8443.5 Ų43.552%0.51523%0.225SC..Hα-helixtrans-62.7-42.3177.8-45.40000112P608 I613 I614P608-T610 PolarHBondContact O-N 3.41Å; P608-T610 VanDerWaalsContact O-N 3.15Å; T610-I613 PolarHBondContact O-N 2.71Å; T610-I614 WeakPolarHBondContact O-CG1 3.36Å; T610-I614 PolarHBondContact O-N 3.2Å; T610-I614 VanDerWaalsContact O-N 3.15Å
611T92.2Very high94.4Very high34 Ų3443.5 Ų43.521%0.20923%0.225CC..Hα-helixtrans-62.8-43.9175.3-51.90000110.9L575 L607 P608 I613 I614 M615L575-T611 HydrophobicContact CD1-CG2 3.97Å; L607-T611 HydrophobicContact CD1-CG2 4.34Å; P608-T611 WeakPolarHBondContact O-CB 3.32Å; P608-T611 PolarHBondContact O-N 2.68Å; T611-I613 VanDerWaalsContact C-N 3.32Å; T611-I613 PolarHBondContact O-N 3.47Å; T611-I614 PolarHBondContact O-N 3.04Å; T611-M615 HydrophobicContact CG2-CE 3.99Å; T611-M615 HydrophobicContact CG2-SD 4.48Å; T611-M615 WeakPolarHBondContact O-CG 3.49Å; T611-M615 PolarHBondContact O-N 3.08Å
612L93.6Very high94.4Very high9 Ų940.6 Ų40.65%0.04721%0.214CC..Hα-helixtrans-62.9-35.7177.2-72.3174000112.9L604 L605 L607 P608 K609 M615 R616 F678 L684L604-L612 HydrophobicContact CB-CD2 4.2Å; L604-L612 WeakPolarHBondContact O-CD2 3.4Å; L605-L612 HydrophobicContact CD2-CD1 4.41Å; L607-L612 HydrophobicContact CB-CG 4.36Å; P608-L612 PolarHBondContact O-N 3.13Å; K609-L612 PolarHBondContact O-N 3.34Å; L612-M615 HydrophobicContact CD2-SD 4.41Å; L612-R616 WeakPolarHBondContact O-CB 3.27Å; L612-R616 PolarHBondContact O-N 2.87Å; L612-F678 HydrophobicContact CD2-CD1 4.35Å; L612-F678 HydrophobicContact CD2-CE1 4.47Å; L612-L684 HydrophobicContact CB-CD2 3.78Å
613I93.7Very high94.5Very high14 Ų1434.2 Ų34.27%0.07219%0.188CC..Hα-helixtrans-65-45.7174.8-69.2163.7000110.6A502 I503 K609 T610 T611 R616 Y617 L684 E685A502-I613 HydrophobicContact CB-CG2 4.43Å; I503-I613 HydrophobicContact CG1-CG2 4.27Å; K609-I613 VanDerWaalsContact O-CG1 3.3Å; K609-I613 WeakPolarHBondContact O-CG1 3.3Å; K609-I613 PolarHBondContact O-N 3.28Å; T610-I613 PolarHBondContact O-N 2.71Å; T611-I613 VanDerWaalsContact C-N 3.32Å; T611-I613 PolarHBondContact O-N 3.47Å; I613-R616 PolarHBondContact O-N 3.37Å; I613-Y617 WeakPolarHBondContact O-CB 3.47Å; I613-Y617 PolarHBondContact O-N 2.9Å; I613-L684 HydrophobicContact CG1-CD2 3.9Å; I613-L684 HydrophobicContact CG1-CG 4.09Å; I613-E685 WeakPolarHBondContact CD1-O 3.43Å
614I94.3Very high94.6Very high22 Ų2234.1 Ų34.111%0.11319%0.186CC..Hα-helixtrans-63.8-45.6178.1-64.1166.9000110.7P504 F568 L575 T610 T611 Y617 L618P504-I614 HydrophobicContact CG-CD1 4.21Å; F568-I614 HydrophobicContact CE1-CG2 3.81Å; F568-I614 HydrophobicContact CZ-CG2 4.17Å; L575-I614 HydrophobicContact CD1-CB 4.34Å; L575-I614 HydrophobicContact CD1-CG2 3.92Å; T610-I614 WeakPolarHBondContact O-CG1 3.36Å; T610-I614 PolarHBondContact O-N 3.2Å; T610-I614 VanDerWaalsContact O-N 3.15Å; T611-I614 PolarHBondContact O-N 3.04Å; I614-Y617 PolarHBondContact O-N 3.43Å; I614-L618 WeakPolarHBondContact O-CB 3.49Å; I614-L618 PolarHBondContact O-N 3.32Å
615M95.7Very high94.7Very high0 Ų034.1 Ų34.10%019%0.186CC..Hα-helixtrans-59.4-49175.8-72.5-178.3170.200111.7L575 F576 L604 L607 T611 L612 Y617 L618 F619 F678L575-M615 HydrophobicContact CD1-CG 4Å; L575-M615 HydrophobicContact CD2-CG 3.78Å; L575-M615 HydrophobicContact CG-CE 3.81Å; L575-M615 HydrophobicContact CG-CG 3.74Å; L575-M615 WeakPolarHBondContact O-CE 3.34Å; F576-M615 HydrophobicContact CD1-CE 3.96Å; F576-M615 HydrophobicContact CD2-CE 4.15Å; F576-M615 HydrophobicContact CE1-CE 3.92Å; F576-M615 HydrophobicContact CE2-CE 4.1Å; F576-M615 HydrophobicContact CG-CE 4.08Å; F576-M615 HydrophobicContact CZ-CE 3.99Å; L604-M615 HydrophobicContact CD1-SD 4.49Å; L604-M615 HydrophobicContact CD2-CE 4.42Å; L604-M615 HydrophobicContact CD2-SD 4.42Å; L607-M615 HydrophobicContact CD1-CE 3.49Å; L607-M615 VanDerWaalsContact CD1-CE 3.49Å; L607-M615 HydrophobicContact CD1-SD 4.06Å; T611-M615 HydrophobicContact CG2-CE 3.99Å; T611-M615 HydrophobicContact CG2-SD 4.48Å; T611-M615 WeakPolarHBondContact O-CG 3.49Å; T611-M615 PolarHBondContact O-N 3.08Å; L612-M615 HydrophobicContact CD2-SD 4.41Å; M615-Y617 PolarHBondContact O-N 3.45Å; M615-L618 PolarHBondContact O-N 2.93Å; M615-F619 HydrophobicContact CB-CD2 4.32Å; M615-F619 WeakPolarHBondContact O-CB 3.41Å; M615-F619 VanDerWaalsContact O-CD2 3.31Å; M615-F619 WeakPolarHBondContact O-CD2 3.28Å; M615-F619 PolarHBondContact O-N 3.37Å; M615-F678 HydrophobicContact CB-CD1 4.21Å; M615-F678 HydrophobicContact CB-CE1 3.41Å; M615-F678 VanDerWaalsContact CB-CE1 3.41Å; M615-F678 HydrophobicContact CB-CZ 3.64Å; M615-F678 HydrophobicContact CG-CE1 4.25Å; M615-F678 HydrophobicContact CG-CZ 4.48Å; M615-F678 HydrophobicContact SD-CE1 3.83Å; M615-F678 HydrophobicContact SD-CZ 4.32Å
616R95Very high94.8Very high16 Ų1630.3 Ų30.36%0.0617%0.167CC..Hα-helixtrans-57.9-38.7178.9-177.1172.664.490-0.5111.8L612 I613 A620 F678 P679 G686 P687L612-R616 WeakPolarHBondContact O-CB 3.27Å; L612-R616 PolarHBondContact O-N 2.87Å; I613-R616 PolarHBondContact O-N 3.37Å; R616-A620 WeakPolarHBondContact O-CB 3.45Å; R616-A620 PolarHBondContact O-N 2.93Å; R616-F678 HydrophobicContact CB-CB 3.96Å; R616-F678 HydrophobicContact CB-CD1 4.44Å; R616-F678 HydrophobicContact CB-CG 4.05Å; R616-F678 HydrophobicContact CG-CB 3.91Å; R616-F678 HydrophobicContact CG-CG 4.44Å; R616-P679 WeakPolarHBondContact CD-O 3.4Å; R616-G686 PolarHBondContact NH2-O 2.93Å; R616-P687 PolarHBondContact NH2-O 3.26Å
617Y95.5Very high94.9Very high23 Ų2329.2 Ų29.29%0.0915%0.154CC..Hα-helixtrans-70.7-48.5177.3-167.1-95.4000112.3I503 I511 I613 I614 M615 F621 Y689I503-Y617 HydrophobicContact CD1-CD1 3.68Å; I503-Y617 HydrophobicContact CD1-CD2 3.19Å; I503-Y617 HydrophobicContact CD1-CE1 4.09Å; I503-Y617 HydrophobicContact CD1-CE2 3.66Å; I503-Y617 HydrophobicContact CD1-CG 3.2Å; I511-Y617 HydrophobicContact CB-CE1 4.12Å; I511-Y617 HydrophobicContact CD1-CD1 3.76Å; I511-Y617 HydrophobicContact CD1-CE1 3.8Å; I511-Y617 HydrophobicContact CG2-CE1 3.77Å; I613-Y617 WeakPolarHBondContact O-CB 3.47Å; I613-Y617 PolarHBondContact O-N 2.9Å; I614-Y617 PolarHBondContact O-N 3.43Å; M615-Y617 PolarHBondContact O-N 3.45Å; Y617-F621 PolarHBondContact O-N 3.3Å; Y617-F621 VanDerWaalsContact O-N 3.14Å; Y617-Y689 VanDerWaalsContact CD2-N 3.26Å; Y617-Y689 HydrophobicContact CE1-CD2 4.4Å; Y617-Y689 VanDerWaalsContact CE2-CA 3.45Å; Y617-Y689 HydrophobicContact CE2-CD2 4.32Å
618L96.8Very high95.1Very high0 Ų031.2 Ų31.20%016%0.162CC..Hα-helixtrans-61.4-50.9179.8176.165000112I511 F568 L575 I614 M615 A620 F621 L622 F643 L647I511-L618 HydrophobicContact CD1-CD1 4.15Å; F568-L618 HydrophobicContact CD2-CD2 4.38Å; F568-L618 HydrophobicContact CE1-CD2 4.31Å; F568-L618 HydrophobicContact CE2-CD1 3.93Å; F568-L618 HydrophobicContact CE2-CD2 3.87Å; F568-L618 HydrophobicContact CE2-CG 4.46Å; F568-L618 HydrophobicContact CZ-CD1 4.29Å; F568-L618 HydrophobicContact CZ-CD2 3.84Å; F568-L618 HydrophobicContact CZ-CG 4.45Å; L575-L618 HydrophobicContact CD2-CD2 4.03Å; I614-L618 WeakPolarHBondContact O-CB 3.49Å; I614-L618 PolarHBondContact O-N 3.32Å; M615-L618 PolarHBondContact O-N 2.93Å; L618-A620 VanDerWaalsContact C-N 3.34Å; L618-A620 PolarHBondContact O-N 2.67Å; L618-F621 WeakPolarHBondContact O-CB 3.3Å; L618-F621 PolarHBondContact O-N 2.99Å; L618-F621 VanDerWaalsContact O-N 3.16Å; L618-L622 HydrophobicContact CD1-CD1 4.24Å; L618-L622 HydrophobicContact CD1-CG 4.23Å; L618-L622 HydrophobicContact CG-CD1 4.1Å; L618-L622 HydrophobicContact CG-CG 4.43Å; L618-L622 WeakPolarHBondContact O-CG 3.45Å; L618-L622 PolarHBondContact O-N 3.47Å; L618-F643 HydrophobicContact CD1-CE1 4.24Å; L618-L647 HydrophobicContact CD2-CD1 4.1Å; L618-L647 HydrophobicContact CD2-CD2 3.86Å
619F97.6Very high95.1Very high0 Ų029.2 Ų29.20%015%0.15CC..Hα-helixtrans-71.6-28.4-175.6-78.5-75.9000112.9F576 M615 L622 N623 L647 I667 I670 I671 H674 F678F576-F619 HydrophobicContact CE2-CE2 4.01Å; F576-F619 HydrophobicContact CE2-CZ 4.03Å; F576-F619 AromaticContact CZ-CE2 3.79Å; F576-F619 HydrophobicContact CZ-CE2 3.79Å; F576-F619 AromaticContact CZ-CZ 3.85Å; F576-F619 HydrophobicContact CZ-CZ 3.85Å; M615-F619 HydrophobicContact CB-CD2 4.32Å; M615-F619 WeakPolarHBondContact O-CB 3.41Å; M615-F619 VanDerWaalsContact O-CD2 3.31Å; M615-F619 WeakPolarHBondContact O-CD2 3.28Å; M615-F619 PolarHBondContact O-N 3.37Å; F619-L622 HydrophobicContact CD1-CD1 4.32Å; F619-L622 HydrophobicContact CE1-CD1 4.47Å; F619-N623 WeakPolarHBondContact O-CB 3.42Å; F619-N623 PolarHBondContact O-N 3.44Å; F619-L647 HydrophobicContact CE2-CD1 4.43Å; F619-L647 HydrophobicContact CZ-CD1 3.84Å; F619-I667 HydrophobicContact CE1-CG2 4.08Å; F619-I667 HydrophobicContact CZ-CD1 4.08Å; F619-I670 HydrophobicContact CB-CG2 4.33Å; F619-I670 HydrophobicContact CD1-CB 4.09Å; F619-I670 HydrophobicContact CD1-CG2 3.5Å; F619-I670 HydrophobicContact CD2-CG2 3.68Å; F619-I670 HydrophobicContact CE1-CB 3.83Å; F619-I670 HydrophobicContact CE1-CG2 3.55Å; F619-I670 HydrophobicContact CE2-CG2 3.75Å; F619-I670 HydrophobicContact CG-CG2 3.57Å; F619-I670 HydrophobicContact CZ-CB 4.16Å; F619-I670 HydrophobicContact CZ-CG2 3.68Å; F619-I671 HydrophobicContact CD1-CB 4.48Å; F619-I671 HydrophobicContact CD1-CG1 3.64Å; F619-I671 HydrophobicContact CE1-CG1 3.85Å; F619-H674 HydrophobicContact CB-CB 4.02Å; F619-F678 HydrophobicContact CB-CE2 3.78Å; F619-F678 AromaticContact CD2-CE2 3.75Å; F619-F678 HydrophobicContact CD2-CE2 3.75Å; F619-F678 AromaticContact CD2-CZ 3.68Å; F619-F678 HydrophobicContact CD2-CZ 3.68Å; F619-F678 HydrophobicContact CE2-CZ 4.25Å; F619-F678 AromaticContact CG-CE2 3.97Å; F619-F678 HydrophobicContact CG-CE2 3.97Å; F619-F678 HydrophobicContact CG-CZ 4.35Å
620A96.3Very high95Very high15 Ų1530.8 Ų30.812%0.12416%0.16CC..Hα-helixtrans-66-39.3169.200000112R616 L618 H624 Y689R616-A620 WeakPolarHBondContact O-CB 3.45Å; R616-A620 PolarHBondContact O-N 2.93Å; L618-A620 VanDerWaalsContact C-N 3.34Å; L618-A620 PolarHBondContact O-N 2.67Å; A620-H624 PolarHBondContact O-N 3.21Å; A620-Y689 HydrophobicContact CB-CD1 4.13Å; A620-Y689 HydrophobicContact CB-CG 4.42Å
621F97.3Very high95Very high0 Ų031.3 Ų31.30%016%0.157CC..Hα-helixtrans-65.7-46.8173162.3-107.8000112.3I511 I514 F525 L564 Y617 L618 N623 H624 L625 Y689I511-F621 HydrophobicContact CB-CG 4.45Å; I511-F621 HydrophobicContact CD1-CB 4.38Å; I511-F621 HydrophobicContact CD1-CD1 4.11Å; I511-F621 HydrophobicContact CD1-CG 4.38Å; I511-F621 HydrophobicContact CG1-CD1 3.86Å; I511-F621 HydrophobicContact CG1-CE1 4.18Å; I511-F621 HydrophobicContact CG1-CG 4.19Å; I511-F621 HydrophobicContact CG2-CB 3.85Å; I511-F621 HydrophobicContact CG2-CD1 4.16Å; I511-F621 HydrophobicContact CG2-CD2 3.68Å; I511-F621 HydrophobicContact CG2-CE2 4.27Å; I511-F621 HydrophobicContact CG2-CG 3.6Å; I514-F621 HydrophobicContact CB-CE2 4.46Å; I514-F621 HydrophobicContact CB-CZ 4.03Å; I514-F621 HydrophobicContact CG2-CE2 4.24Å; I514-F621 HydrophobicContact CG2-CZ 3.69Å; F525-F621 HydrophobicContact CE2-CE1 4.08Å; F525-F621 HydrophobicContact CE2-CZ 4.3Å; F525-F621 AromaticContact CZ-CE1 3.97Å; F525-F621 HydrophobicContact CZ-CE1 3.97Å; F525-F621 HydrophobicContact CZ-CZ 4.35Å; L564-F621 HydrophobicContact CD2-CE1 4.5Å; Y617-F621 PolarHBondContact O-N 3.3Å; Y617-F621 VanDerWaalsContact O-N 3.14Å; L618-F621 WeakPolarHBondContact O-CB 3.3Å; L618-F621 PolarHBondContact O-N 2.99Å; L618-F621 VanDerWaalsContact O-N 3.16Å; F621-N623 VanDerWaalsContact C-N 3.29Å; F621-N623 PolarHBondContact O-N 3Å; F621-H624 WeakPolarHBondContact O-CB 3.33Å; F621-H624 PolarHBondContact O-N 3.48Å; F621-H624 VanDerWaalsContact O-N 3.11Å; F621-L625 HydrophobicContact CZ-CD2 4.29Å; F621-L625 PolarHBondContact O-N 3.01Å; F621-Y689 HydrophobicContact CB-CD1 4.31Å; F621-Y689 HydrophobicContact CB-CD2 4.02Å; F621-Y689 HydrophobicContact CB-CE1 4.29Å; F621-Y689 HydrophobicContact CB-CE2 4Å; F621-Y689 HydrophobicContact CB-CG 4.17Å; F621-Y689 AromaticContact CD2-CE2 3.97Å; F621-Y689 HydrophobicContact CD2-CE2 3.97Å; F621-Y689 AromaticContact CD2-CZ 3.89Å; F621-Y689 HydrophobicContact CG-CE2 4.43Å
622L97.6Very high95Very high0 Ų029.7 Ų29.70%015%0.147CC..Hα-helixtrans-62.6-37.1178.4-66.7177.9000112L618 F619 L625 S626 F643 I671L618-L622 HydrophobicContact CD1-CD1 4.24Å; L618-L622 HydrophobicContact CD1-CG 4.23Å; L618-L622 HydrophobicContact CG-CD1 4.1Å; L618-L622 HydrophobicContact CG-CG 4.43Å; L618-L622 WeakPolarHBondContact O-CG 3.45Å; L618-L622 PolarHBondContact O-N 3.47Å; F619-L622 HydrophobicContact CD1-CD1 4.32Å; F619-L622 HydrophobicContact CE1-CD1 4.47Å; L622-L625 PolarHBondContact O-N 3.29Å; L622-S626 WeakPolarHBondContact O-CB 3.4Å; L622-S626 PolarHBondContact O-N 3.26Å; L622-F643 HydrophobicContact CD1-CD1 4.43Å; L622-F643 HydrophobicContact CD1-CD2 4.15Å; L622-F643 HydrophobicContact CD1-CE2 4.38Å; L622-F643 HydrophobicContact CD1-CG 4.17Å; L622-F643 HydrophobicContact CD2-CD2 3.95Å; L622-F643 HydrophobicContact CD2-CE2 3.5Å; L622-F643 VanDerWaalsContact CD2-CE2 3.5Å; L622-F643 HydrophobicContact CD2-CZ 3.89Å; L622-I671 HydrophobicContact CB-CD1 4.46Å; L622-I671 HydrophobicContact CB-CG1 4.17Å; L622-I671 HydrophobicContact CB-CG2 4.45Å; L622-I671 HydrophobicContact CD1-CD1 4.38Å; L622-I671 HydrophobicContact CD1-CG1 4.35Å
623N97.4Very high95Very high24 Ų2434.3 Ų34.313%0.12817%0.169CC..Hα-helixtrans-61.7-46.6171.8-176.5-83.9000111.4F619 F621 L625 S626 Q627 I671 H674F619-N623 WeakPolarHBondContact O-CB 3.42Å; F619-N623 PolarHBondContact O-N 3.44Å; F621-N623 VanDerWaalsContact C-N 3.29Å; F621-N623 PolarHBondContact O-N 3Å; N623-L625 PolarHBondContact O-N 3.16Å; N623-S626 PolarHBondContact O-N 2.92Å; N623-S626 PolarHBondContact O-OG 3Å; N623-Q627 PolarHBondContact O-N 3.27Å; N623-Q627 PolarHBondContact OD1-NE2 3.38Å; N623-I671 HydrophobicContact CB-CG2 4.39Å; N623-I671 PolarHBondContact ND2-O 3.13Å; N623-H674 VanDerWaalsContact CB-CD2 3.43Å; N623-H674 WeakPolarHBondContact CB-CD2 3.49Å; N623-H674 VanDerWaalsContact CG-CD2 3.49Å
624H96.9Very high95.1Very high18 Ų1833.7 Ų33.78%0.08317%0.166CC..Hα-helixtrans-61.6-44177.1-178.2-143.2000112.4A620 F621 S626 Q627 F628 Y689A620-H624 PolarHBondContact O-N 3.21Å; F621-H624 WeakPolarHBondContact O-CB 3.33Å; F621-H624 PolarHBondContact O-N 3.48Å; F621-H624 VanDerWaalsContact O-N 3.11Å; H624-S626 VanDerWaalsContact C-N 3.3Å; H624-S626 PolarHBondContact O-N 2.94Å; H624-Q627 WeakPolarHBondContact O-CB 3.38Å; H624-Q627 PolarHBondContact O-N 3.3Å; H624-Q627 VanDerWaalsContact O-N 3.14Å; H624-F628 AromaticContact CD2-CE2 3.91Å; H624-F628 AromaticContact NE2-CE2 3.64Å; H624-F628 WeakPolarHBondContact O-CD2 3.47Å; H624-Y689 HydrophobicContact CB-CE1 3.73Å; H624-Y689 AromaticContact CG-CE1 3.98Å; H624-Y689 AromaticContact ND1-CE1 3.64Å; H624-Y689 AromaticContact ND1-CZ 3.63Å; H624-Y689 PolarHBondContact ND1-OH 3.44Å
625L96.4Very high95.1Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-59.7-40.9176-175.970.1000112.2L519 I524 F525 F621 L622 N623 Q627 F628 N632 L639L519-L625 HydrophobicContact CD2-CD1 3.66Å; I524-L625 HydrophobicContact CG2-CD1 4.13Å; I524-L625 HydrophobicContact CG2-CD2 4.09Å; I524-L625 HydrophobicContact CG2-CG 4.45Å; F525-L625 HydrophobicContact CD2-CD2 3.83Å; F525-L625 HydrophobicContact CE2-CD2 3.54Å; F621-L625 HydrophobicContact CZ-CD2 4.29Å; F621-L625 PolarHBondContact O-N 3.01Å; L622-L625 PolarHBondContact O-N 3.29Å; N623-L625 PolarHBondContact O-N 3.16Å; L625-Q627 PolarHBondContact O-N 2.94Å; L625-F628 PolarHBondContact O-N 3.12Å; L625-F628 VanDerWaalsContact O-N 3.09Å; L625-N632 PolarHBondContact O-ND2 3.46Å; L625-N632 VanDerWaalsContact O-ND2 3.08Å; L625-L639 HydrophobicContact CD2-CD1 4.28Å; L625-L639 HydrophobicContact CD2-CD2 3.81Å
626S96.7Very high95.1Very high12 Ų1236.9 Ų36.98%0.08419%0.185CC..Hα-helixtrans-66.1-16.5179.174.90000114L622 N623 H624 F628 S629L622-S626 WeakPolarHBondContact O-CB 3.4Å; L622-S626 PolarHBondContact O-N 3.26Å; N623-S626 PolarHBondContact O-N 2.92Å; N623-S626 PolarHBondContact O-OG 3Å; H624-S626 VanDerWaalsContact C-N 3.3Å; H624-S626 PolarHBondContact O-N 2.94Å; S626-F628 PolarHBondContact O-N 3.46Å; S626-S629 WeakPolarHBondContact O-CB 3.34Å; S626-S629 PolarHBondContact O-N 3.41Å; S626-S629 PolarHBondContact O-OG 2.83Å
627Q95.1Very high95.1Very high94 Ų9440.5 Ų40.544%0.43920%0.199SC..THydrogen-bonded Turntrans-71.8-16174.4-65.5165.326.500112.4N623 H624 L625 R691N623-Q627 PolarHBondContact O-N 3.27Å; N623-Q627 PolarHBondContact OD1-NE2 3.38Å; H624-Q627 WeakPolarHBondContact O-CB 3.38Å; H624-Q627 PolarHBondContact O-N 3.3Å; H624-Q627 VanDerWaalsContact O-N 3.14Å; L625-Q627 PolarHBondContact O-N 2.94Å; Q627-R691 VanDerWaalsContact NE2-NH2 3.12Å
628F95.4Very high95.1Very high57 Ų5741.7 Ų41.725%0.2521%0.207CC..THydrogen-bonded Turntrans-99.619.2175.5-63.7-96.2000112.1L519 Q520 H624 L625 S626 E630 E631 N632L519-F628 HydrophobicContact CB-CD1 4.38Å; L519-F628 HydrophobicContact CB-CD2 4.15Å; L519-F628 HydrophobicContact CB-CE2 4.37Å; L519-F628 HydrophobicContact CB-CG 4.16Å; L519-F628 HydrophobicContact CD1-CD2 4.28Å; L519-F628 HydrophobicContact CD1-CE2 3.73Å; L519-F628 HydrophobicContact CD1-CZ 3.87Å; L519-F628 HydrophobicContact CD2-CD2 4.38Å; L519-F628 HydrophobicContact CD2-CE2 4.48Å; L519-F628 HydrophobicContact CG-CE2 4.43Å; L519-F628 WeakPolarHBondContact O-CB 3.36Å; Q520-F628 HydrophobicContact CG-CD1 4.36Å; H624-F628 AromaticContact CD2-CE2 3.91Å; H624-F628 AromaticContact NE2-CE2 3.64Å; H624-F628 WeakPolarHBondContact O-CD2 3.47Å; L625-F628 PolarHBondContact O-N 3.12Å; L625-F628 VanDerWaalsContact O-N 3.09Å; S626-F628 PolarHBondContact O-N 3.46Å; F628-E630 PolarHBondContact O-N 3.16Å; F628-E630 VanDerWaalsContact O-N 3.1Å; F628-E631 PolarHBondContact O-N 2.95Å; F628-N632 WeakPolarHBondContact CB-ND2 3.5Å; F628-N632 VanDerWaalsContact O-CG 3.24Å; F628-N632 PolarHBondContact O-N 3.31Å; F628-N632 PolarHBondContact O-ND2 3.12Å; F628-N632 PolarHBondContact O-OD1 3.35Å
629S92.8Very high95.1Very high40 Ų4041.7 Ų41.728%0.2821%0.207SC..Hα-helixtrans-61.1-21.2-175.462.50000114.4S626 E631 N632 M633S626-S629 WeakPolarHBondContact O-CB 3.34Å; S626-S629 PolarHBondContact O-N 3.41Å; S626-S629 PolarHBondContact O-OG 2.83Å; S629-E631 PolarHBondContact O-N 3.37Å; S629-N632 WeakPolarHBondContact CA-OD1 3.39Å; S629-M633 VanDerWaalsContact O-CA 3.3Å; S629-M633 WeakPolarHBondContact O-CA 3.39Å; S629-M633 PolarHBondContact O-N 2.98Å; S629-M633 VanDerWaalsContact O-N 3.11Å
630E88.8Confident95Very high185 Ų18541.7 Ų41.786%0.86421%0.207SC*.Hα-helixtrans-66-28.9173.3-63-171.6172.900112.4F628F628-E630 PolarHBondContact O-N 3.16Å; F628-E630 VanDerWaalsContact O-N 3.1Å
631E90.1Very high94.9Very high95 Ų9544.3 Ų44.344%0.44422%0.218SC..Hα-helixtrans-101.7-48.8-179.1-58.6-172.5-122.300111.6Q520 F628 S629Q520-E631 HydrophobicContact CB-CB 4.3Å; Q520-E631 HydrophobicContact CG-CB 4.35Å; Q520-E631 WeakPolarHBondContact CG-OE2 3.23Å; Q520-E631 PolarHBondContact NE2-OE1 2.87Å; Q520-E631 PolarHBondContact NE2-OE2 2.83Å; F628-E631 PolarHBondContact O-N 2.95Å; S629-E631 PolarHBondContact O-N 3.37Å
632N93.2Very high94.8Very high0 Ų045.4 Ų45.40%023%0.226CC..Hα-helixtrans-85.5-6.5-175.568.733.7000114.2L519 H521 G523 I524 L625 F628 S629 M634L519-N632 WeakPolarHBondContact O-CB 3.33Å; L519-N632 PolarHBondContact O-ND2 3.46Å; H521-N632 WeakPolarHBondContact O-CB 3.33Å; G523-N632 PolarHBondContact N-O 3.47Å; I524-N632 HydrophobicContact CG2-CB 4.41Å; L625-N632 PolarHBondContact O-ND2 3.46Å; L625-N632 VanDerWaalsContact O-ND2 3.08Å; F628-N632 WeakPolarHBondContact CB-ND2 3.5Å; F628-N632 VanDerWaalsContact O-CG 3.24Å; F628-N632 PolarHBondContact O-N 3.31Å; F628-N632 PolarHBondContact O-ND2 3.12Å; F628-N632 PolarHBondContact O-OD1 3.35Å; S629-N632 WeakPolarHBondContact CA-OD1 3.39Å; N632-M634 WeakPolarHBondContact O-CG 3.24Å; N632-M634 PolarHBondContact O-N 3.19Å; N632-M634 WeakPolarHBondContact OD1-CA 3.18Å; N632-M634 WeakPolarHBondContact OD1-CB 3.33Å; N632-M634 PolarHBondContact OD1-N 2.95Å
633M93.1Very high94.7Very high105 Ų10545.4 Ų45.452%0.51723%0.226SC..  trans62.813.8-178.4-56.3-67.3-156.100115.6E522 S629 N638E522-M633 HydrophobicContact CG-CB 4.49Å; E522-M633 HydrophobicContact CG-CG 4.01Å; S629-M633 VanDerWaalsContact O-CA 3.3Å; S629-M633 WeakPolarHBondContact O-CA 3.39Å; S629-M633 PolarHBondContact O-N 2.98Å; S629-M633 VanDerWaalsContact O-N 3.11Å; M633-N638 PolarHBondContact O-ND2 3.33Å
634M94.9Very high94.5Very high1 Ų144.2 Ų44.21%0.00522%0.219CC..  trans-112.582.4-175.4-63.7-59.7-66.300112.1I524 R526 N632 N638 L639I524-M634 HydrophobicContact CG2-CG 4.2Å; I524-M634 WeakPolarHBondContact O-CE 3.46Å; I524-M634 WeakPolarHBondContact O-CG 3.47Å; R526-M634 HydrophobicContact CB-CE 3.96Å; R526-M634 HydrophobicContact CB-SD 3.81Å; N632-M634 WeakPolarHBondContact O-CG 3.24Å; N632-M634 PolarHBondContact O-N 3.19Å; N632-M634 WeakPolarHBondContact OD1-CA 3.18Å; N632-M634 WeakPolarHBondContact OD1-CB 3.33Å; N632-M634 PolarHBondContact OD1-N 2.95Å; M634-N638 HydrophobicContact CE-CB 3.84Å; M634-N638 HydrophobicContact SD-CB 4.04Å; M634-L639 HydrophobicContact CB-CD2 3.93Å; M634-L639 HydrophobicContact CB-CG 4.1Å; M634-L639 HydrophobicContact CE-CD2 3.9Å; M634-L639 HydrophobicContact CE-CG 4.4Å
635D94.4Very high94.1Very high59 Ų5946.3 Ų46.332%0.31624%0.235SC..  trans-68.4170.5171.678.914.1000112.4Y637 N638 L639D635-Y637 PolarHBondContact O-N 2.96Å; D635-Y637 VanDerWaalsContact O-N 3.1Å; D635-Y637 WeakPolarHBondContact OD1-CA 3.48Å; D635-Y637 WeakPolarHBondContact OD1-CB 3.48Å; D635-Y637 PolarHBondContact OD1-N 3.06Å; D635-N638 PolarHBondContact O-N 3.37Å; D635-N638 PolarHBondContact OD1-N 3.3Å; D635-L639 WeakPolarHBondContact O-CG 3.35Å; D635-L639 PolarHBondContact O-N 2.88Å
636P96.2Very high93.8Very high30 Ų3047.2 Ų47.220%0.19524%0.241CC..Hα-helixtrans-56.9-27.3-179.7-27.435.7000114.7A640 K668 I671 I672P636-A640 VanDerWaalsContact O-CB 3.31Å; P636-A640 WeakPolarHBondContact O-CB 3.42Å; P636-A640 PolarHBondContact O-N 3.45Å; P636-A640 VanDerWaalsContact O-N 3.12Å; P636-K668 HydrophobicContact CB-CG 4.3Å; P636-I671 HydrophobicContact CB-CG2 4.04Å; P636-I672 HydrophobicContact CB-CD1 4.26Å; P636-I672 HydrophobicContact CB-CG1 3.95Å; P636-I672 HydrophobicContact CG-CG1 4.18Å
637Y94.8Very high93.5Very high92 Ų9246.7 Ų46.736%0.36124%0.237SC..Hα-helixtrans-79.2-42.9178.5-178.1-110.1000111.4D635 L639 A640 I641 N664 K668D635-Y637 PolarHBondContact O-N 2.96Å; D635-Y637 VanDerWaalsContact O-N 3.1Å; D635-Y637 WeakPolarHBondContact OD1-CA 3.48Å; D635-Y637 WeakPolarHBondContact OD1-CB 3.48Å; D635-Y637 PolarHBondContact OD1-N 3.06Å; Y637-L639 VanDerWaalsContact C-N 3.32Å; Y637-L639 PolarHBondContact O-N 2.94Å; Y637-A640 WeakPolarHBondContact O-CA 3.49Å; Y637-A640 WeakPolarHBondContact O-CB 3.23Å; Y637-A640 PolarHBondContact O-N 3.03Å; Y637-A640 VanDerWaalsContact O-N 3.07Å; Y637-I641 HydrophobicContact CD1-CD1 3.92Å; Y637-I641 HydrophobicContact CE1-CD1 3.53Å; Y637-I641 HydrophobicContact CE1-CG1 4.29Å; Y637-I641 WeakPolarHBondContact O-CG1 3.49Å; Y637-I641 PolarHBondContact O-N 3.15Å; Y637-N664 HydrophobicContact CE2-CB 4.19Å; Y637-K668 HydrophobicContact CD2-CD 3.93Å; Y637-K668 HydrophobicContact CG-CD 4.45Å
638N95.2Very high93.2Very high48 Ų4842.4 Ų42.426%0.25722%0.217SC..Hα-helixtrans-60.9-42174.7-70.7-14.9000111.1M633 M634 D635 A640 I641 C642M633-N638 PolarHBondContact O-ND2 3.33Å; M634-N638 HydrophobicContact CE-CB 3.84Å; M634-N638 HydrophobicContact SD-CB 4.04Å; D635-N638 PolarHBondContact O-N 3.37Å; D635-N638 PolarHBondContact OD1-N 3.3Å; N638-A640 VanDerWaalsContact C-N 3.33Å; N638-I641 PolarHBondContact O-N 3.35Å; N638-C642 PolarHBondContact O-N 3.03Å; N638-C642 PolarHBondContact O-SG 2.79Å
639L96.8Very high92.5Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-63.7-39.1172.4-68.9173.8000111.8F525 L625 M634 D635 Y637 C642 F643 I671F525-L639 HydrophobicContact CD2-CD2 4.08Å; L625-L639 HydrophobicContact CD2-CD1 4.28Å; L625-L639 HydrophobicContact CD2-CD2 3.81Å; M634-L639 HydrophobicContact CB-CD2 3.93Å; M634-L639 HydrophobicContact CB-CG 4.1Å; M634-L639 HydrophobicContact CE-CD2 3.9Å; M634-L639 HydrophobicContact CE-CG 4.4Å; D635-L639 WeakPolarHBondContact O-CG 3.35Å; D635-L639 PolarHBondContact O-N 2.88Å; Y637-L639 VanDerWaalsContact C-N 3.32Å; Y637-L639 PolarHBondContact O-N 2.94Å; L639-C642 PolarHBondContact O-N 3.49Å; L639-F643 WeakPolarHBondContact O-CB 3.43Å; L639-F643 PolarHBondContact O-N 2.99Å; L639-I671 HydrophobicContact CB-CD1 4.03Å
640A96.1Very high92Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-65.2-37.2176.700000113.1P636 Y637 N638 C642 G644 N664 I667 K668 I671P636-A640 VanDerWaalsContact O-CB 3.31Å; P636-A640 WeakPolarHBondContact O-CB 3.42Å; P636-A640 PolarHBondContact O-N 3.45Å; P636-A640 VanDerWaalsContact O-N 3.12Å; Y637-A640 WeakPolarHBondContact O-CA 3.49Å; Y637-A640 WeakPolarHBondContact O-CB 3.23Å; Y637-A640 PolarHBondContact O-N 3.03Å; Y637-A640 VanDerWaalsContact O-N 3.07Å; N638-A640 VanDerWaalsContact C-N 3.33Å; A640-C642 VanDerWaalsContact C-N 3.31Å; A640-C642 PolarHBondContact O-N 3.18Å; A640-G644 VanDerWaalsContact O-CA 3.31Å; A640-G644 WeakPolarHBondContact O-CA 3.44Å; A640-G644 PolarHBondContact O-N 3.4Å; A640-N664 VanDerWaalsContact CB-O 3.28Å; A640-N664 WeakPolarHBondContact CB-O 3.39Å; A640-I667 HydrophobicContact CB-CB 3.94Å; A640-I667 HydrophobicContact CB-CG2 3.78Å; A640-K668 HydrophobicContact CB-CB 3.93Å; A640-I671 HydrophobicContact CB-CD1 4.39Å
641I93.9Very high91.5Very high71 Ų7134 Ų3436%0.36418%0.184SC..Hα-helixtrans-61.4-42172.3-68166.8000110.7Y637 N638 P645Y637-I641 HydrophobicContact CD1-CD1 3.92Å; Y637-I641 HydrophobicContact CE1-CD1 3.53Å; Y637-I641 HydrophobicContact CE1-CG1 4.29Å; Y637-I641 WeakPolarHBondContact O-CG1 3.49Å; Y637-I641 PolarHBondContact O-N 3.15Å; N638-I641 PolarHBondContact O-N 3.35Å; I641-P645 WeakPolarHBondContact O-CD 3.2Å
642C95.6Very high90.6Very high22 Ų2237.9 Ų37.915%0.14920%0.202CC..Hα-helixtrans-72.9-40.1-177.5-63.60000112.8F525 N638 L639 A640F525-C642 HydrophobicContact CB-CB 4.18Å; N638-C642 PolarHBondContact O-N 3.03Å; N638-C642 PolarHBondContact O-SG 2.79Å; L639-C642 PolarHBondContact O-N 3.49Å; A640-C642 VanDerWaalsContact C-N 3.31Å; A640-C642 PolarHBondContact O-N 3.18Å
643F95.5Very high89.5Confident0 Ų041.9 Ų41.90%024%0.243CC..Hα-helixtrans-91-26.9-176.7-87.5-88.1000114F525 K565 L618 L622 L639 S646 L647F525-F643 HydrophobicContact CB-CE2 4.19Å; F525-F643 AromaticContact CD1-CE2 3.59Å; F525-F643 HydrophobicContact CD1-CE2 3.59Å; F525-F643 AromaticContact CD1-CZ 3.67Å; F525-F643 HydrophobicContact CD1-CZ 3.67Å; F525-F643 AromaticContact CD2-CE2 3.8Å; F525-F643 HydrophobicContact CD2-CE2 3.8Å; F525-F643 HydrophobicContact CD2-CZ 4.43Å; F525-F643 AromaticContact CE1-CE2 3.83Å; F525-F643 HydrophobicContact CE1-CE2 3.83Å; F525-F643 AromaticContact CE1-CZ 3.51Å; F525-F643 HydrophobicContact CE1-CZ 3.51Å; F525-F643 HydrophobicContact CE2-CE2 4.02Å; F525-F643 HydrophobicContact CE2-CZ 4.28Å; F525-F643 AromaticContact CG-CE2 3.59Å; F525-F643 HydrophobicContact CG-CE2 3.59Å; F525-F643 HydrophobicContact CG-CZ 4.15Å; F525-F643 HydrophobicContact CZ-CE2 4.03Å; F525-F643 AromaticContact CZ-CZ 3.83Å; F525-F643 HydrophobicContact CZ-CZ 3.83Å; K565-F643 HydrophobicContact CG-CE1 4.22Å; K565-F643 HydrophobicContact CG-CZ 4.16Å; L618-F643 HydrophobicContact CD1-CE1 4.24Å; L622-F643 HydrophobicContact CD1-CD1 4.43Å; L622-F643 HydrophobicContact CD1-CD2 4.15Å; L622-F643 HydrophobicContact CD1-CE2 4.38Å; L622-F643 HydrophobicContact CD1-CG 4.17Å; L622-F643 HydrophobicContact CD2-CD2 3.95Å; L622-F643 HydrophobicContact CD2-CE2 3.5Å; L622-F643 VanDerWaalsContact CD2-CE2 3.5Å; L622-F643 HydrophobicContact CD2-CZ 3.89Å; L639-F643 WeakPolarHBondContact O-CB 3.43Å; L639-F643 PolarHBondContact O-N 2.99Å; F643-S646 CarbonylContact O-C 3.58Å; F643-S646 WeakPolarHBondContact O-CA 3.3Å; F643-S646 WeakPolarHBondContact O-CB 3.42Å; F643-S646 PolarHBondContact O-N 3.48Å; F643-L647 HydrophobicContact CB-CD1 3.91Å; F643-L647 HydrophobicContact CB-CG 4.24Å; F643-L647 HydrophobicContact CD1-CD1 4.08Å; F643-L647 HydrophobicContact CD1-CD2 4.34Å; F643-L647 HydrophobicContact CD1-CG 4.12Å; F643-L647 HydrophobicContact CG-CD1 4.43Å; F643-L647 WeakPolarHBondContact O-CB 3.42Å; F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 2.94Å
644G92.1Very high88.6Confident0 Ų040.5 Ų40.50%024%0.236CC..Hα-helixtrans-50.2-57.3-176.600000113.6A640 S646 L647 M648A640-G644 VanDerWaalsContact O-CA 3.31Å; A640-G644 WeakPolarHBondContact O-CA 3.44Å; A640-G644 PolarHBondContact O-N 3.4Å; G644-S646 PolarHBondContact O-N 2.86Å; G644-L647 PolarHBondContact O-N 3.39Å; G644-M648 PolarHBondContact O-N 3.37Å
645P89.1Confident87.8Confident62 Ų6245 Ų4540%0.40326%0.26SS..Hα-helixtrans-62.3-25.8177.2-22.132.7000114.3I641I641-P645 WeakPolarHBondContact O-CD 3.2Å
646S89.4Confident87Confident18 Ų1848.7 Ų48.713%0.12628%0.275CS..Hα-helixtrans-84.8-26.2-177.9-56.30000112.8F568 R569 F643 G644F568-S646 CarbonylContact C-O 3.57Å; R569-S646 PolarHBondContact N-O 2.69Å; F643-S646 CarbonylContact O-C 3.58Å; F643-S646 WeakPolarHBondContact O-CA 3.3Å; F643-S646 WeakPolarHBondContact O-CB 3.42Å; F643-S646 PolarHBondContact O-N 3.48Å; G644-S646 PolarHBondContact O-N 2.86Å
647L92.1Very high86.1Confident2 Ų252.9 Ų52.91%0.0130%0.3CS..Hα-helixtrans-98.3-31.7-176.5-65-178.3000113F568 L575 F576 L618 F619 F643 G644 I667F568-L647 HydrophobicContact CB-CD2 3.83Å; F568-L647 HydrophobicContact CD1-CD2 4.13Å; F568-L647 HydrophobicContact CD2-CD2 4.29Å; F568-L647 HydrophobicContact CG-CD2 3.83Å; L575-L647 HydrophobicContact CB-CD2 4.4Å; L575-L647 HydrophobicContact CD2-CD2 3.82Å; F576-L647 HydrophobicContact CD2-CB 3.91Å; F576-L647 WeakPolarHBondContact CD2-O 3.47Å; F576-L647 HydrophobicContact CE2-CB 4Å; F576-L647 HydrophobicContact CE2-CD1 4.29Å; F576-L647 PolarHBondContact N-O 2.63Å; L618-L647 HydrophobicContact CD2-CD1 4.1Å; L618-L647 HydrophobicContact CD2-CD2 3.86Å; F619-L647 HydrophobicContact CE2-CD1 4.43Å; F619-L647 HydrophobicContact CZ-CD1 3.84Å; F643-L647 HydrophobicContact CB-CD1 3.91Å; F643-L647 HydrophobicContact CB-CG 4.24Å; F643-L647 HydrophobicContact CD1-CD1 4.08Å; F643-L647 HydrophobicContact CD1-CD2 4.34Å; F643-L647 HydrophobicContact CD1-CG 4.12Å; F643-L647 HydrophobicContact CG-CD1 4.43Å; F643-L647 WeakPolarHBondContact O-CB 3.42Å; F643-L647 WeakPolarHBondContact O-CG 3.49Å; F643-L647 PolarHBondContact O-N 2.94Å; G644-L647 PolarHBondContact O-N 3.39Å; L647-I667 HydrophobicContact CD1-CD1 4.27Å
648M87.6Confident85.2Confident4 Ų451.6 Ų51.62%0.0231%0.305CS..  trans-139.3115.8-175.5-176.2-179-75.300110.1F576 F581 L584 M585 G644 V663 L666F576-M648 HydrophobicContact CB-CB 4.1Å; F576-M648 HydrophobicContact CB-CE 3.51Å; F576-M648 HydrophobicContact CB-CG 4.2Å; F576-M648 HydrophobicContact CD1-CE 3.56Å; F576-M648 HydrophobicContact CD2-CE 4.46Å; F576-M648 HydrophobicContact CE1-CE 4.37Å; F576-M648 HydrophobicContact CG-CB 4.48Å; F576-M648 HydrophobicContact CG-CE 3.6Å; F581-M648 HydrophobicContact CD2-CG 3.87Å; F581-M648 HydrophobicContact CD2-SD 3.53Å; F581-M648 VanDerWaalsContact CD2-SD 3.53Å; F581-M648 HydrophobicContact CE2-CG 4.08Å; F581-M648 HydrophobicContact CE2-SD 3.67Å; L584-M648 HydrophobicContact CD1-CE 3.45Å; L584-M648 VanDerWaalsContact CD1-CE 3.45Å; M585-M648 HydrophobicContact CE-SD 3.96Å; G644-M648 PolarHBondContact O-N 3.37Å; M648-V663 HydrophobicContact CB-CG1 4.36Å; M648-V663 HydrophobicContact SD-CG1 4.37Å; M648-V663 HydrophobicContact SD-CG2 4.02Å; M648-L666 HydrophobicContact CE-CD2 3.59Å; M648-L666 HydrophobicContact SD-CD2 4.13Å
649S82Confident84.7Confident62 Ų6250.1 Ų50.143%0.43430%0.297SS..PPolyproline II helixtrans-86.8132.5171.3-510000110P651S649-P651 WeakPolarHBondContact O-CD 3.33Å
650V80.7Confident84.3Confident25 Ų2551.9 Ų51.915%0.15231%0.306CS..PPolyproline II helixtrans-62125.6172.3-179.10000108.6F581 H654 C659 V663F581-V650 HydrophobicContact CZ-CG1 4.21Å; F581-V650 HydrophobicContact CZ-CG2 4.44Å; V650-H654 HydrophobicContact CG1-CB 3.75Å; V650-C659 HydrophobicContact CG1-CB 3.87Å; V650-C659 HydrophobicContact CG2-CB 3.91Å; V650-V663 HydrophobicContact CG2-CG2 4.48Å
651P79.7Confident83.9Confident18 Ų1854.6 Ų54.612%0.11733%0.328CS..PPolyproline II helixtrans-60.9152.1177.1-23.734000112.8K578 F581 S649 G653 H654K578-P651 HydrophobicContact CB-CG 4.47Å; F581-P651 HydrophobicContact CB-CG 3.81Å; F581-P651 VanDerWaalsContact CD1-CD 3.45Å; F581-P651 HydrophobicContact CD1-CG 3.61Å; F581-P651 HydrophobicContact CD2-CG 4.09Å; F581-P651 HydrophobicContact CE1-CG 4.17Å; F581-P651 VanDerWaalsContact CG-CD 3.46Å; F581-P651 HydrophobicContact CG-CG 3.56Å; S649-P651 WeakPolarHBondContact O-CD 3.33Å; P651-G653 PolarHBondContact O-N 3.32Å; P651-H654 PolarHBondContact O-N 2.99Å
652E70.6Confident83.7Confident176 Ų17654.8 Ų54.882%0.82233%0.328SS*.THydrogen-bonded Turntrans-58.5133.6176.8-71.5159.8-141.600110.9K578K578-E652 IonicContact NZ-OE1 3.62Å
653G69.1Low83.6Confident84 Ų8453.8 Ų53.887%0.86632%0.32SS*.THydrogen-bonded Turntrans94.85.8-178.400000115.8P651P651-G653 PolarHBondContact O-N 3.32Å
654H75.1Confident83.5Confident77 Ų7754.4 Ų54.436%0.35632%0.324SS..SBendtrans-114.6141.2170.7-71.558.2000110.2H582 V650 P651 Q656H582-H654 AromaticContact CD2-NE2 3.8Å; H582-H654 AromaticContact CE1-CE1 3.99Å; H582-H654 AromaticContact NE2-CE1 3.23Å; H582-H654 PolarHBondContact NE2-CE1 3.28Å; H582-H654 AromaticContact NE2-NE2 3.31Å; H582-H654 PolarHBondContact NE2-NE2 2.95Å; V650-H654 HydrophobicContact CG1-CB 3.75Å; P651-H654 PolarHBondContact O-N 2.99Å; H654-Q656 PolarHBondContact O-N 2.95Å
655D78.4Confident83.5Confident96 Ų9656.9 Ų56.951%0.51334%0.335SS..  trans-62.6118.1176.5172.441.1000110.4V657 S658 C659D655-V657 VanDerWaalsContact C-N 3.28Å; D655-V657 PolarHBondContact O-N 3.28Å; D655-V657 PolarHBondContact OD1-N 2.73Å; D655-S658 WeakPolarHBondContact OD2-CA 3.39Å; D655-S658 WeakPolarHBondContact OD2-CB 3.3Å; D655-S658 PolarHBondContact OD2-N 3.34Å; D655-C659 VanDerWaalsContact O-CB 3.28Å; D655-C659 WeakPolarHBondContact O-CB 3.43Å; D655-C659 PolarHBondContact O-N 2.9Å; D655-C659 PolarHBondContact O-SG 3.21Å
656Q77.2Confident83.8Confident135 Ų13553.9 Ų53.963%0.63132%0.316SS*.Hα-helixtrans-63.3-36.8-174.7-168.6170.725.800111.2H654 Q660H654-Q656 PolarHBondContact O-N 2.95Å; Q656-Q660 VanDerWaalsContact O-CB 3.29Å; Q656-Q660 WeakPolarHBondContact O-CB 3.38Å; Q656-Q660 PolarHBondContact O-N 2.62Å
657V76.7Confident84.2Confident118 Ų11853 Ų5372%0.71531%0.31SS*.Hα-helixtrans-72.7-47.7-175.9-177.80000111.2D655 Q660D655-V657 VanDerWaalsContact C-N 3.28Å; D655-V657 PolarHBondContact O-N 3.28Å; D655-V657 PolarHBondContact OD1-N 2.73Å; V657-Q660 PolarHBondContact O-N 2.73Å
658S76.8Confident84.4Confident66 Ų6655.8 Ų55.846%0.46232%0.322SS..Hα-helixtrans-66.2-39.8177.8178.20000112.8D655 Q660 H662D655-S658 WeakPolarHBondContact OD2-CA 3.39Å; D655-S658 WeakPolarHBondContact OD2-CB 3.3Å; D655-S658 PolarHBondContact OD2-N 3.34Å; S658-Q660 VanDerWaalsContact C-N 3.33Å; S658-Q660 PolarHBondContact O-N 3.3Å; S658-H662 PolarHBondContact O-ND1 3.21Å; S658-H662 VanDerWaalsContact O-ND1 3.12Å
659C84.6Confident84.8Confident16 Ų1655.6 Ų55.611%0.10832%0.321CS..Hα-helixtrans-71.5-28.9177.8-65.80000112.2F581 V650 D655 A661 H662 V663F581-C659 HydrophobicContact CZ-CB 4.36Å; V650-C659 HydrophobicContact CG1-CB 3.87Å; V650-C659 HydrophobicContact CG2-CB 3.91Å; D655-C659 VanDerWaalsContact O-CB 3.28Å; D655-C659 WeakPolarHBondContact O-CB 3.43Å; D655-C659 PolarHBondContact O-N 2.9Å; D655-C659 PolarHBondContact O-SG 3.21Å; C659-A661 VanDerWaalsContact C-N 3.28Å; C659-A661 PolarHBondContact O-N 2.93Å; C659-H662 PolarHBondContact O-N 3.13Å; C659-H662 VanDerWaalsContact O-N 3.09Å; C659-V663 WeakPolarHBondContact O-CG2 3.36Å; C659-V663 PolarHBondContact O-N 3.35Å
660Q87.1Confident85.5Confident37 Ų3752.6 Ų52.617%0.17330%0.3CS..Hα-helixtrans-61.2-37.1-178.4-166.361.252.300112.4Q656 V657 S658 H662 V663 N664Q656-Q660 VanDerWaalsContact O-CB 3.29Å; Q656-Q660 WeakPolarHBondContact O-CB 3.38Å; Q656-Q660 PolarHBondContact O-N 2.62Å; V657-Q660 PolarHBondContact O-N 2.73Å; S658-Q660 VanDerWaalsContact C-N 3.33Å; S658-Q660 PolarHBondContact O-N 3.3Å; Q660-H662 VanDerWaalsContact C-N 3.33Å; Q660-H662 PolarHBondContact O-N 3Å; Q660-V663 PolarHBondContact O-N 2.98Å; Q660-N664 PolarHBondContact NE2-OD1 2.99Å; Q660-N664 WeakPolarHBondContact O-CB 3.23Å; Q660-N664 PolarHBondContact O-N 2.85Å; Q660-N664 PolarHBondContact O-ND2 3.41Å; Q660-N664 PolarHBondContact O-OD1 3.23Å
661A87.9Confident86.3Confident57 Ų5751.4 Ų51.447%0.47129%0.293SS..Hα-helixtrans-61.2-42.7175.400000111.8C659 N664 E665C659-A661 VanDerWaalsContact C-N 3.28Å; C659-A661 PolarHBondContact O-N 2.93Å; A661-N664 PolarHBondContact O-N 2.94Å; A661-E665 WeakPolarHBondContact O-CB 3.5Å; A661-E665 PolarHBondContact O-N 3.34Å
662H91.1Very high87.1Confident76 Ų7653.7 Ų53.735%0.35230%0.304SS..Hα-helixtrans-69.7-39.2177.4-65.887.8000112.1M585 V588 S658 C659 Q660 E665 L666M585-H662 HydrophobicContact SD-CB 3.65Å; V588-H662 HydrophobicContact CG1-CB 4.27Å; S658-H662 PolarHBondContact O-ND1 3.21Å; S658-H662 VanDerWaalsContact O-ND1 3.12Å; C659-H662 PolarHBondContact O-N 3.13Å; C659-H662 VanDerWaalsContact O-N 3.09Å; Q660-H662 VanDerWaalsContact C-N 3.33Å; Q660-H662 PolarHBondContact O-N 3Å; H662-E665 PolarHBondContact O-N 3.24Å; H662-L666 WeakPolarHBondContact O-CB 3.4Å; H662-L666 PolarHBondContact O-N 3.39Å
663V92.8Very high88.2Confident0 Ų046.5 Ų46.50%027%0.27CS..Hα-helixtrans-61.6-45.3173.5172.30000110.7F581 M585 M648 V650 C659 Q660 E665 L666 I667F581-V663 HydrophobicContact CE2-CG2 3.99Å; F581-V663 HydrophobicContact CZ-CG2 4.4Å; M585-V663 HydrophobicContact CE-CG2 4.01Å; M585-V663 HydrophobicContact SD-CG2 4.2Å; M648-V663 HydrophobicContact CB-CG1 4.36Å; M648-V663 HydrophobicContact SD-CG1 4.37Å; M648-V663 HydrophobicContact SD-CG2 4.02Å; V650-V663 HydrophobicContact CG2-CG2 4.48Å; C659-V663 WeakPolarHBondContact O-CG2 3.36Å; C659-V663 PolarHBondContact O-N 3.35Å; Q660-V663 PolarHBondContact O-N 2.98Å; V663-E665 PolarHBondContact O-N 3.42Å; V663-L666 WeakPolarHBondContact O-CB 3.19Å; V663-L666 PolarHBondContact O-N 2.99Å; V663-I667 HydrophobicContact CG1-CG1 4.35Å; V663-I667 VanDerWaalsContact O-CG1 3.28Å; V663-I667 WeakPolarHBondContact O-CG1 3.27Å; V663-I667 PolarHBondContact O-N 3.36Å
664N93.4Very high89.5Confident13 Ų1343.5 Ų43.57%0.0723%0.233CC..Hα-helixtrans-62.8-43.1178-65-12.3000111.2Y637 A640 Q660 A661 L666 I667 K668Y637-N664 HydrophobicContact CE2-CB 4.19Å; A640-N664 VanDerWaalsContact CB-O 3.28Å; A640-N664 WeakPolarHBondContact CB-O 3.39Å; Q660-N664 PolarHBondContact NE2-OD1 2.99Å; Q660-N664 WeakPolarHBondContact O-CB 3.23Å; Q660-N664 PolarHBondContact O-N 2.85Å; Q660-N664 PolarHBondContact O-ND2 3.41Å; Q660-N664 PolarHBondContact O-OD1 3.23Å; A661-N664 PolarHBondContact O-N 2.94Å; N664-L666 PolarHBondContact O-N 2.92Å; N664-I667 PolarHBondContact O-N 3.45Å; N664-K668 VanDerWaalsContact O-CB 3.25Å; N664-K668 WeakPolarHBondContact O-CB 3.39Å; N664-K668 PolarHBondContact O-N 2.96Å
665E92.9Very high90.4Very high52 Ų5247 Ų4724%0.24325%0.25CC..Hα-helixtrans-66.6-36177.6-175.959.4-160.300112.3V588 R596 A661 H662 V663 K668 T669V588-E665 HydrophobicContact CG1-CB 3.96Å; V588-E665 HydrophobicContact CG1-CG 3.82Å; R596-E665 IonicContact NH1-OE1 2.94Å; R596-E665 PolarHBondContact NH1-OE1 3.07Å; A661-E665 WeakPolarHBondContact O-CB 3.5Å; A661-E665 PolarHBondContact O-N 3.34Å; H662-E665 PolarHBondContact O-N 3.24Å; V663-E665 PolarHBondContact O-N 3.42Å; E665-K668 IonicContact OE2-NZ 3.28Å; E665-K668 PolarHBondContact OE2-NZ 3.36Å; E665-T669 WeakPolarHBondContact O-CB 3.37Å; E665-T669 PolarHBondContact O-N 2.78Å; E665-T669 PolarHBondContact O-OG1 2.9Å
666L95.3Very high91.1Very high0 Ų046.5 Ų46.50%025%0.247CC..Hα-helixtrans-62.3-53.3172.1177.169.7000111.3L584 M585 V588 I600 M648 H662 V663 N664 K668 T669 I670L584-L666 HydrophobicContact CB-CD1 4.4Å; L584-L666 HydrophobicContact CB-CD2 3.76Å; L584-L666 HydrophobicContact CD1-CD2 4.16Å; L584-L666 HydrophobicContact CD2-CD1 4.37Å; L584-L666 HydrophobicContact CG-CD2 4.38Å; M585-L666 HydrophobicContact CE-CB 4.42Å; M585-L666 HydrophobicContact CE-CD2 3.69Å; V588-L666 HydrophobicContact CG2-CB 3.79Å; V588-L666 HydrophobicContact CG2-CD1 4.28Å; I600-L666 HydrophobicContact CD1-CD1 3.61Å; I600-L666 HydrophobicContact CG1-CD1 3.9Å; M648-L666 HydrophobicContact CE-CD2 3.59Å; M648-L666 HydrophobicContact SD-CD2 4.13Å; H662-L666 WeakPolarHBondContact O-CB 3.4Å; H662-L666 PolarHBondContact O-N 3.39Å; V663-L666 WeakPolarHBondContact O-CB 3.19Å; V663-L666 PolarHBondContact O-N 2.99Å; N664-L666 PolarHBondContact O-N 2.92Å; L666-K668 VanDerWaalsContact C-N 3.32Å; L666-K668 PolarHBondContact O-N 3.4Å; L666-T669 WeakPolarHBondContact O-CB 3.42Å; L666-T669 PolarHBondContact O-N 3.45Å; L666-T669 VanDerWaalsContact O-N 3.11Å; L666-I670 HydrophobicContact CD1-CD1 4.23Å; L666-I670 HydrophobicContact CG-CD1 4.04Å; L666-I670 WeakPolarHBondContact O-CG1 3.44Å; L666-I670 PolarHBondContact O-N 2.9Å
667I96.6Very high92Very high0 Ų040.2 Ų40.20%022%0.218CC..Hα-helixtrans-63.3-40.8-177.6-64.6-64.1000110.6F576 F619 A640 L647 V663 N664 T669 I670 I671F576-I667 HydrophobicContact CE2-CD1 3.93Å; F576-I667 HydrophobicContact CZ-CD1 4.03Å; F619-I667 HydrophobicContact CE1-CG2 4.08Å; F619-I667 HydrophobicContact CZ-CD1 4.08Å; A640-I667 HydrophobicContact CB-CB 3.94Å; A640-I667 HydrophobicContact CB-CG2 3.78Å; L647-I667 HydrophobicContact CD1-CD1 4.27Å; V663-I667 HydrophobicContact CG1-CG1 4.35Å; V663-I667 VanDerWaalsContact O-CG1 3.28Å; V663-I667 WeakPolarHBondContact O-CG1 3.27Å; V663-I667 PolarHBondContact O-N 3.36Å; N664-I667 PolarHBondContact O-N 3.45Å; I667-T669 PolarHBondContact O-N 3.14Å; I667-I670 PolarHBondContact O-N 3.46Å; I667-I670 VanDerWaalsContact O-N 3.16Å; I667-I671 HydrophobicContact CG2-CD1 4.04Å; I667-I671 VanDerWaalsContact O-CG1 3.32Å; I667-I671 WeakPolarHBondContact O-CG1 3.48Å; I667-I671 PolarHBondContact O-N 3.31Å
668K96.1Very high92.9Very high59 Ų5934.8 Ų34.826%0.25719%0.185SC..Hα-helixtrans-57.5-46.8171.4174.4-173167.1-165.40111.6P636 Y637 A640 N664 E665 L666 I670 I671 I672P636-K668 HydrophobicContact CB-CG 4.3Å; Y637-K668 HydrophobicContact CD2-CD 3.93Å; Y637-K668 HydrophobicContact CG-CD 4.45Å; A640-K668 HydrophobicContact CB-CB 3.93Å; N664-K668 VanDerWaalsContact O-CB 3.25Å; N664-K668 WeakPolarHBondContact O-CB 3.39Å; N664-K668 PolarHBondContact O-N 2.96Å; E665-K668 IonicContact OE2-NZ 3.28Å; E665-K668 PolarHBondContact OE2-NZ 3.36Å; L666-K668 VanDerWaalsContact C-N 3.32Å; L666-K668 PolarHBondContact O-N 3.4Å; K668-I670 VanDerWaalsContact C-N 3.28Å; K668-I670 PolarHBondContact O-N 2.87Å; K668-I671 PolarHBondContact O-N 3.1Å; K668-I672 HydrophobicContact CG-CD1 3.82Å; K668-I672 WeakPolarHBondContact O-CG1 3.42Å; K668-I672 PolarHBondContact O-N 3.05Å
669T96Very high93.6Very high0 Ų032.1 Ų32.10%017%0.166CC..Hα-helixtrans-57.7-43.5176.1-60.10000110.7L593 R596 I600 E665 L666 I667 I672 Q673L593-T669 HydrophobicContact CD1-CG2 3.84Å; R596-T669 HydrophobicContact CG-CG2 4.24Å; R596-T669 PolarHBondContact NH1-OG1 3.39Å; I600-T669 HydrophobicContact CD1-CG2 3.67Å; E665-T669 WeakPolarHBondContact O-CB 3.37Å; E665-T669 PolarHBondContact O-N 2.78Å; E665-T669 PolarHBondContact O-OG1 2.9Å; L666-T669 WeakPolarHBondContact O-CB 3.42Å; L666-T669 PolarHBondContact O-N 3.45Å; L666-T669 VanDerWaalsContact O-N 3.11Å; I667-T669 PolarHBondContact O-N 3.14Å; T669-I672 PolarHBondContact O-N 3.01Å; T669-Q673 WeakPolarHBondContact O-CB 3.49Å; T669-Q673 PolarHBondContact O-N 2.97Å
670I97.3Very high93.8Very high0 Ų033.5 Ų33.50%018%0.176CC..Hα-helixtrans-66.5-39.4179-60.8169.7000111.8F576 I600 F619 L666 I667 K668 H674 I677 F678F576-I670 HydrophobicContact CE1-CD1 3.71Å; F576-I670 HydrophobicContact CZ-CD1 3.71Å; I600-I670 HydrophobicContact CG2-CD1 4.24Å; I600-I670 HydrophobicContact CG2-CG1 4.05Å; F619-I670 HydrophobicContact CB-CG2 4.33Å; F619-I670 HydrophobicContact CD1-CB 4.09Å; F619-I670 HydrophobicContact CD1-CG2 3.5Å; F619-I670 HydrophobicContact CD2-CG2 3.68Å; F619-I670 HydrophobicContact CE1-CB 3.83Å; F619-I670 HydrophobicContact CE1-CG2 3.55Å; F619-I670 HydrophobicContact CE2-CG2 3.75Å; F619-I670 HydrophobicContact CG-CG2 3.57Å; F619-I670 HydrophobicContact CZ-CB 4.16Å; F619-I670 HydrophobicContact CZ-CG2 3.68Å; L666-I670 HydrophobicContact CD1-CD1 4.23Å; L666-I670 HydrophobicContact CG-CD1 4.04Å; L666-I670 WeakPolarHBondContact O-CG1 3.44Å; L666-I670 PolarHBondContact O-N 2.9Å; I667-I670 PolarHBondContact O-N 3.46Å; I667-I670 VanDerWaalsContact O-N 3.16Å; K668-I670 VanDerWaalsContact C-N 3.28Å; K668-I670 PolarHBondContact O-N 2.87Å; I670-H674 VanDerWaalsContact O-CA 3.26Å; I670-H674 WeakPolarHBondContact O-CA 3.31Å; I670-H674 VanDerWaalsContact O-CB 3.27Å; I670-H674 WeakPolarHBondContact O-CB 3.3Å; I670-H674 PolarHBondContact O-N 3.26Å; I670-I677 HydrophobicContact CB-CD1 4.32Å; I670-I677 HydrophobicContact CG1-CD1 4.09Å; I670-F678 HydrophobicContact CG2-CE2 3.57Å; I670-F678 HydrophobicContact CG2-CZ 3.68Å
671I97.3Very high93.6Very high0 Ų035.2 Ų35.20%019%0.19CC..Hα-helixtrans-62-46.8175-67.2165.2000110.7F619 L622 N623 P636 L639 A640 I667 K668 H674F619-I671 HydrophobicContact CD1-CB 4.48Å; F619-I671 HydrophobicContact CD1-CG1 3.64Å; F619-I671 HydrophobicContact CE1-CG1 3.85Å; L622-I671 HydrophobicContact CB-CD1 4.46Å; L622-I671 HydrophobicContact CB-CG1 4.17Å; L622-I671 HydrophobicContact CB-CG2 4.45Å; L622-I671 HydrophobicContact CD1-CD1 4.38Å; L622-I671 HydrophobicContact CD1-CG1 4.35Å; N623-I671 HydrophobicContact CB-CG2 4.39Å; N623-I671 PolarHBondContact ND2-O 3.13Å; P636-I671 HydrophobicContact CB-CG2 4.04Å; L639-I671 HydrophobicContact CB-CD1 4.03Å; A640-I671 HydrophobicContact CB-CD1 4.39Å; I667-I671 HydrophobicContact CG2-CD1 4.04Å; I667-I671 VanDerWaalsContact O-CG1 3.32Å; I667-I671 WeakPolarHBondContact O-CG1 3.48Å; I667-I671 PolarHBondContact O-N 3.31Å; K668-I671 PolarHBondContact O-N 3.1Å; I671-H674 PolarHBondContact O-CD2 3.36Å
672I95.8Very high93.5Very high66 Ų6644 Ų4434%0.33821%0.211SC..Hα-helixtrans-71.4-42.2-176.5-64.5170.1000111.2P636 K668 T669P636-I672 HydrophobicContact CB-CD1 4.26Å; P636-I672 HydrophobicContact CB-CG1 3.95Å; P636-I672 HydrophobicContact CG-CG1 4.18Å; K668-I672 HydrophobicContact CG-CD1 3.82Å; K668-I672 WeakPolarHBondContact O-CG1 3.42Å; K668-I672 PolarHBondContact O-N 3.05Å; T669-I672 PolarHBondContact O-N 3.01Å
673Q95.6Very high93.2Very high25 Ų2546 Ų4612%0.11722%0.22CC..THydrogen-bonded Turntrans-10423.9-171.8-63.4-68.1-33.200112.9L593 A597 T669 E675 N676 I677L593-Q673 HydrophobicContact CD1-CG 4.39Å; L593-Q673 HydrophobicContact CD2-CG 4.21Å; L593-Q673 HydrophobicContact CG-CG 4.04Å; A597-Q673 HydrophobicContact CB-CB 3.87Å; A597-Q673 HydrophobicContact CB-CG 4.11Å; T669-Q673 WeakPolarHBondContact O-CB 3.49Å; T669-Q673 PolarHBondContact O-N 2.97Å; Q673-E675 PolarHBondContact O-N 3.17Å; Q673-E675 VanDerWaalsContact O-N 3.16Å; Q673-N676 PolarHBondContact O-N 3.29Å; Q673-N676 PolarHBondContact OE1-ND2 2.89Å; Q673-I677 HydrophobicContact CB-CD1 3.75Å; Q673-I677 HydrophobicContact CB-CG1 4.21Å; Q673-I677 WeakPolarHBondContact O-CB 3.12Å; Q673-I677 WeakPolarHBondContact O-CG1 3.36Å; Q673-I677 PolarHBondContact O-N 3.43Å
674H95Very high93.1Very high21 Ų2146.7 Ų46.710%0.09722%0.224CC..Hα-helixtrans-56.8-36.1-172.675.990.9000113.1F619 N623 I670 I671 N676 I677 F678F619-H674 HydrophobicContact CB-CB 4.02Å; N623-H674 VanDerWaalsContact CB-CD2 3.43Å; N623-H674 WeakPolarHBondContact CB-CD2 3.49Å; N623-H674 VanDerWaalsContact CG-CD2 3.49Å; I670-H674 VanDerWaalsContact O-CA 3.26Å; I670-H674 WeakPolarHBondContact O-CA 3.31Å; I670-H674 VanDerWaalsContact O-CB 3.27Å; I670-H674 WeakPolarHBondContact O-CB 3.3Å; I670-H674 PolarHBondContact O-N 3.26Å; I671-H674 PolarHBondContact O-CD2 3.36Å; H674-N676 VanDerWaalsContact C-N 3.34Å; H674-I677 PolarHBondContact O-N 3.49Å; H674-F678 HydrophobicContact CB-CD2 4.12Å; H674-F678 HydrophobicContact CB-CE2 4.33Å; H674-F678 WeakPolarHBondContact O-CD2 3.35Å; H674-F678 PolarHBondContact O-N 3.32Å
675E93.5Very high92.8Very high149 Ų14954.4 Ų54.470%0.69626%0.26SS*.Hα-helixtrans-67.8-32.7177.6-60.2-167.9152.700113.1Q673Q673-E675 PolarHBondContact O-N 3.17Å; Q673-E675 VanDerWaalsContact O-N 3.16Å
676N93.4Very high92.4Very high87 Ų8753.5 Ų53.547%0.46527%0.265SS..Hα-helixtrans-83.4-28.4179.1-70.4-37.9000111.9R601 Q673 H674R601-N676 VanDerWaalsContact CD-O 3.23Å; R601-N676 WeakPolarHBondContact CD-O 3.41Å; R601-N676 PolarHBondContact NH1-O 3.28Å; R601-N676 VanDerWaalsContact NH1-O 3.1Å; Q673-N676 PolarHBondContact O-N 3.29Å; Q673-N676 PolarHBondContact OE1-ND2 2.89Å; H674-N676 VanDerWaalsContact C-N 3.34Å
677I96Very high92Very high2 Ų256.3 Ų56.31%0.0128%0.283CS..Hα-helixtrans-84.5-46.4-176-70.6166.3000112.3A597 I600 R601 L604 I670 Q673 H674A597-I677 HydrophobicContact CB-CD1 4.17Å; A597-I677 HydrophobicContact CB-CG1 3.87Å; I600-I677 HydrophobicContact CB-CD1 4.47Å; I600-I677 HydrophobicContact CD1-CD1 4.5Å; I600-I677 HydrophobicContact CG2-CD1 4.18Å; I600-I677 HydrophobicContact CG2-CG1 4.41Å; I600-I677 HydrophobicContact CG2-CG2 3.93Å; R601-I677 WeakPolarHBondContact CB-O 3.4Å; R601-I677 WeakPolarHBondContact CD-O 3.41Å; R601-I677 WeakPolarHBondContact CG-O 3.39Å; L604-I677 HydrophobicContact CD1-CG2 3.7Å; I670-I677 HydrophobicContact CB-CD1 4.32Å; I670-I677 HydrophobicContact CG1-CD1 4.09Å; Q673-I677 HydrophobicContact CB-CD1 3.75Å; Q673-I677 HydrophobicContact CB-CG1 4.21Å; Q673-I677 WeakPolarHBondContact O-CB 3.12Å; Q673-I677 WeakPolarHBondContact O-CG1 3.36Å; Q673-I677 PolarHBondContact O-N 3.43Å; H674-I677 PolarHBondContact O-N 3.49Å
678F95.6Very high91.6Very high5 Ų559.5 Ų59.52%0.02230%0.302CS..SBendtrans-91.5147-176.3-63.3-67.8000112.1L604 L612 M615 R616 F619 I670 H674L604-F678 HydrophobicContact CD1-CE1 3.81Å; L604-F678 HydrophobicContact CD1-CZ 4.08Å; L612-F678 HydrophobicContact CD2-CD1 4.35Å; L612-F678 HydrophobicContact CD2-CE1 4.47Å; M615-F678 HydrophobicContact CB-CD1 4.21Å; M615-F678 HydrophobicContact CB-CE1 3.41Å; M615-F678 VanDerWaalsContact CB-CE1 3.41Å; M615-F678 HydrophobicContact CB-CZ 3.64Å; M615-F678 HydrophobicContact CG-CE1 4.25Å; M615-F678 HydrophobicContact CG-CZ 4.48Å; M615-F678 HydrophobicContact SD-CE1 3.83Å; M615-F678 HydrophobicContact SD-CZ 4.32Å; R616-F678 HydrophobicContact CB-CB 3.96Å; R616-F678 HydrophobicContact CB-CD1 4.44Å; R616-F678 HydrophobicContact CB-CG 4.05Å; R616-F678 HydrophobicContact CG-CB 3.91Å; R616-F678 HydrophobicContact CG-CG 4.44Å; F619-F678 HydrophobicContact CB-CE2 3.78Å; F619-F678 AromaticContact CD2-CE2 3.75Å; F619-F678 HydrophobicContact CD2-CE2 3.75Å; F619-F678 AromaticContact CD2-CZ 3.68Å; F619-F678 HydrophobicContact CD2-CZ 3.68Å; F619-F678 HydrophobicContact CE2-CZ 4.25Å; F619-F678 AromaticContact CG-CE2 3.97Å; F619-F678 HydrophobicContact CG-CE2 3.97Å; F619-F678 HydrophobicContact CG-CZ 4.35Å; I670-F678 HydrophobicContact CG2-CE2 3.57Å; I670-F678 HydrophobicContact CG2-CZ 3.68Å; H674-F678 HydrophobicContact CB-CD2 4.12Å; H674-F678 HydrophobicContact CB-CE2 4.33Å; H674-F678 WeakPolarHBondContact O-CD2 3.35Å; H674-F678 PolarHBondContact O-N 3.32Å
679P91.8Very high91.4Very high9 Ų957.7 Ų57.76%0.05829%0.294CS..PPolyproline II helixtrans-58.2141.4177.1-23.533.5000112.2L605 R616 E683 L684L605-P679 HydrophobicContact CD2-CG 3.8Å; R616-P679 WeakPolarHBondContact CD-O 3.4Å; P679-E683 WeakPolarHBondContact CA-OE2 3.45Å; P679-E683 HydrophobicContact CB-CB 3.83Å; P679-L684 HydrophobicContact CB-CB 3.74Å; P679-L684 HydrophobicContact CG-CB 4.32Å; P679-L684 HydrophobicContact CG-CD2 4.28Å
680S88.3Confident90.9Very high46 Ų4662 Ų6232%0.32232%0.324SS..PPolyproline II helixtrans-65.4161.8175.775.10000111R682 E683 L684S680-R682 PolarHBondContact O-N 2.92Å; S680-R682 PolarHBondContact OG-N 2.88Å; S680-E683 PolarHBondContact N-OE2 3.37Å; S680-E683 PolarHBondContact O-N 3.16Å; S680-L684 PolarHBondContact O-N 3.06Å
681P84.4Confident90.1Very high72 Ų7268.6 Ų68.647%0.46835%0.349SS..THydrogen-bonded Turntrans-57.9-19.2175.8-24.534.8000114.1V688P681-V688 HydrophobicContact CB-CG2 4.21Å; P681-V688 HydrophobicContact CG-CG2 3.91Å
682R84.8Confident88Confident241 Ų24172 Ų7291%0.90938%0.383SS*.THydrogen-bonded Turntrans-78.9-26.6173.6-63.4-177.6178.8175.60.8113.1S680S680-R682 PolarHBondContact O-N 2.92Å; S680-R682 PolarHBondContact OG-N 2.88Å
683E86.3Confident85.3Confident119 Ų11972.4 Ų72.456%0.55640%0.404SS*.THydrogen-bonded Turntrans-93.3-31.4-178.4-67.1172.1-175.700112.2R601 P679 S680R601-E683 IonicContact CZ-OE2 3.81Å; R601-E683 IonicContact NH2-OE1 2.7Å; R601-E683 IonicContact NH2-OE2 2.76Å; R601-E683 PolarHBondContact NH2-OE2 3.42Å; P679-E683 WeakPolarHBondContact CA-OE2 3.45Å; P679-E683 HydrophobicContact CB-CB 3.83Å; S680-E683 PolarHBondContact N-OE2 3.37Å; S680-E683 PolarHBondContact O-N 3.16Å
684L89.3Confident82.2Confident14 Ų1475.5 Ų75.57%0.07343%0.429CS..SBendtrans-138.5104.5178-175.962.8000110.4K609 L612 I613 P679 S680K609-L684 HydrophobicContact CB-CD1 3.98Å; K609-L684 HydrophobicContact CD-CD1 3.86Å; K609-L684 HydrophobicContact CG-CD1 3.86Å; L612-L684 HydrophobicContact CB-CD2 3.78Å; I613-L684 HydrophobicContact CG1-CD2 3.9Å; I613-L684 HydrophobicContact CG1-CG 4.09Å; P679-L684 HydrophobicContact CB-CB 3.74Å; P679-L684 HydrophobicContact CG-CB 4.32Å; P679-L684 HydrophobicContact CG-CD2 4.28Å; S680-L684 PolarHBondContact O-N 3.06Å
685E86.6Confident79.1Confident175 Ų17584 Ų8482%0.81847%0.471SS*.  trans-64.8137175-68.5-178.3177.400111.2I613I613-E685 WeakPolarHBondContact CD1-O 3.43Å
686G85.8Confident76.1Confident34 Ų3485.5 Ų85.535%0.35148%0.478SS..SBendtrans156169.4177.500000112R616 V688R616-G686 PolarHBondContact NH2-O 2.93Å; G686-V688 PolarHBondContact O-N 3.42Å
687P87.4Confident72.9Confident58 Ų5888.4 Ų88.438%0.37749%0.493SS..  trans-55.3139.5-178.5-23.733.3000112A502 I503 R616A502-P687 VanDerWaalsContact CB-CD 3.45Å; A502-P687 HydrophobicContact CB-CG 3.84Å; I503-P687 HydrophobicContact CD1-CB 3.71Å; I503-P687 HydrophobicContact CD1-CG 4.26Å; I503-P687 HydrophobicContact CG1-CB 4.17Å; I503-P687 HydrophobicContact CG1-CG 4.16Å; R616-P687 PolarHBondContact NH2-O 3.26Å
688V88.1Confident69.8Low67 Ų6799 Ų9941%0.40654%0.535SS..  trans-116.7138.9178.4-165.60000107.2P681 G686 S690P681-V688 HydrophobicContact CB-CG2 4.21Å; P681-V688 HydrophobicContact CG-CG2 3.91Å; G686-V688 PolarHBondContact O-N 3.42Å; V688-S690 PolarHBondContact O-N 3.4Å; V688-S690 VanDerWaalsContact O-N 3.14Å
689Y91.8Very high66.5Low21 Ų21104.9 Ų104.98%0.08258%0.575CS.*  trans-66.2115171.6175.7-104.4000108.7I511 S515 Y617 A620 F621 H624 R691I511-Y689 HydrophobicContact CG2-CD2 3.95Å; I511-Y689 HydrophobicContact CG2-CE2 3.8Å; S515-Y689 WeakPolarHBondContact CB-OH 3.5Å; S515-Y689 PolarHBondContact OG-OH 3.14Å; Y617-Y689 VanDerWaalsContact CD2-N 3.26Å; Y617-Y689 HydrophobicContact CE1-CD2 4.4Å; Y617-Y689 VanDerWaalsContact CE2-CA 3.45Å; Y617-Y689 HydrophobicContact CE2-CD2 4.32Å; A620-Y689 HydrophobicContact CB-CD1 4.13Å; A620-Y689 HydrophobicContact CB-CG 4.42Å; F621-Y689 HydrophobicContact CB-CD1 4.31Å; F621-Y689 HydrophobicContact CB-CD2 4.02Å; F621-Y689 HydrophobicContact CB-CE1 4.29Å; F621-Y689 HydrophobicContact CB-CE2 4Å; F621-Y689 HydrophobicContact CB-CG 4.17Å; F621-Y689 AromaticContact CD2-CE2 3.97Å; F621-Y689 HydrophobicContact CD2-CE2 3.97Å; F621-Y689 AromaticContact CD2-CZ 3.89Å; F621-Y689 HydrophobicContact CG-CE2 4.43Å; H624-Y689 HydrophobicContact CB-CE1 3.73Å; H624-Y689 AromaticContact CG-CE1 3.98Å; H624-Y689 AromaticContact ND1-CE1 3.64Å; H624-Y689 AromaticContact ND1-CZ 3.63Å; H624-Y689 PolarHBondContact ND1-OH 3.44Å; Y689-R691 HydrophobicContact CE1-CG 4.32Å
690S84.1Confident63.3Low92 Ų92112.2 Ų112.264%0.64361%0.614SS**  trans-99.5127.4173.4-64.90000108.3V688 G692V688-S690 PolarHBondContact O-N 3.4Å; V688-S690 VanDerWaalsContact O-N 3.14Å; S690-G692 PolarHBondContact O-N 2.96Å
691R80.8Confident60.3Low138 Ų138115 Ų11552%0.52163%0.633SS.*  trans-61.6109.6166.1-54.4-179.6-169.2-1680.5105.9Q627 Y689 G693Q627-R691 VanDerWaalsContact NE2-NH2 3.12Å; Y689-R691 HydrophobicContact CE1-CG 4.32Å; R691-G693 PolarHBondContact O-N 3.27Å; R691-G693 VanDerWaalsContact O-N 3.11Å
692G52.9Low58Low70 Ų70116.2 Ų116.272%0.72264%0.642SS**  trans-59.7116.9178.800000109.8S690S690-G692 PolarHBondContact O-N 2.96Å
693G40.3Very low55.4Low75 Ų75113.5 Ų113.577%0.77364%0.639SS**  trans-76.6144.3165.800000109.6R691R691-G693 PolarHBondContact O-N 3.27Å; R691-G693 VanDerWaalsContact O-N 3.11Å
694S29.2Very low52.4Low91 Ų91111.3 Ų111.364%0.63665%0.648SS**  -145.2119.865.454.60000114.5E696S694-E696 VanDerWaalsContact C-N 3.32Å
695M31.3Very low49.4Very low199 Ų199119.4 Ų119.498%0.9869%0.685SS**SBendtrans-95.213.4150.6-168.6169.4-178.900110.7
696E29Very low46.4Very low180 Ų180116.6 Ų116.684%0.84168%0.68SS**  trans-11512-170.1-76.6-173.415700115.8S694S694-E696 VanDerWaalsContact C-N 3.32Å
697D28.1Very low43.5Very low148 Ų148121 Ų12179%0.79170%0.7SS**SBendtrans-10621.6179.4-100.1-10000114.8
698Y30.8Very low40.4Very low224 Ų224122.9 Ų122.988%0.87872%0.715SS**SBendtrans-128.946.3173.3-143.8-88.4000113.4
699C26.4Very low37.6Very low130 Ų130125.5 Ų125.588%0.87873%0.731SS**  trans-154.388162.1-93.60000111
700D24.3Very low34.5Very low162 Ų162133 Ų13387%0.86677%0.767SS**  trans-150100.1136.9-144.3-5.2000110.5
701S25.3Very low31.8Very low104 Ų104135.8 Ų135.873%0.72777%0.774SS**  158.1157.1122.6-134.20000110.7
702P35.6Very low29.1Very low99 Ų99134.4 Ų134.464%0.64379%0.786SS**  -113.7162.7-92.829.5-12.7000109.2
703H29.3Very low27.9Very low184 Ų184137 Ų13785%0.85279%0.788SS**  trans-175.7130.6132.1-91.628.2000106.4
704G23.9Very low27.2Very low72 Ų72141.7 Ų141.774%0.74279%0.789SS**  trans-60.3171-178.100000112.4
705E25.7Very low26.9Very low185 Ų185144.1 Ų144.186%0.86480%0.795SS**  cis-159.3146.245-83.2175153.600111.3
706T24.2Very low26.8Very low116 Ų116140.3 Ų140.371%0.71278%0.783SS**  trans-5.5130.9147.248.70000119.6
707T24.3Very low26.7Very low125 Ų125137.7 Ų137.777%0.76778%0.78SS**  152.5108107.642.30000113.5
708S23.6Very low26.6Very low98 Ų98135.3 Ų135.369%0.68578%0.781SS**  30.5127122.471.40000122.7
709V28.7Very low26.4Very low122 Ų122133.6 Ų133.674%0.73978%0.78SS**  trans81.9130.5141-131.80000121.7
710E26.3Very low26.4Very low180 Ų180136.2 Ų136.284%0.84178%0.779SS**  trans96111140.4-100.2162.4-139.500120.3
711D27.6Very low26.7Very low150 Ų150137.6 Ų137.680%0.80278%0.78SS**  trans39.5117130.8-153.320.7000119.2
712S23.3Very low26.7Very low109 Ų109138.7 Ų138.776%0.76278%0.783SS**  164.5158.6122.844.70000113.6
713T28.5Very low26.5Very low123 Ų123139.5 Ų139.576%0.75579%0.791SS**  trans-45.7163.5-178.351.10000119.5
714Q25.3Very low26.7Very low174 Ų174137.7 Ų137.781%0.81379%0.788SS**  trans101.5110.3151.3-81.6174-7.500119.3
715D24.2Very low27.2Very low142 Ų142141.9 Ų141.976%0.75979%0.793SS**  61.1129.3121.9-93-17.6000122
716V27.8Very low28Very low120 Ų120141.9 Ų141.973%0.72779%0.793SS**  trans72.4116.8143.2-177.90000113
717T27.2Very low29.1Very low125 Ų125140.9 Ų140.977%0.76779%0.79SS**  cis-178.2145.44011.30000106.7
718A26.7Very low31.1Very low98 Ų98142.7 Ų142.781%0.8179%0.789SS**  trans-146.592.9153.200000109
719E25.5Very low33.5Very low187 Ų187141.2 Ų141.287%0.87478%0.777SS**  trans2.6111.3156.7-61.7179.5163.700117.8
720H27.6Very low36.3Very low185 Ų185137.9 Ų137.986%0.85676%0.755SS**PPolyproline II helixtrans-65133.3156.8-90.1-88.5000110.6T722H720-T722 PolarHBondContact O-N 3.49Å
721H29.5Very low39.4Very low192 Ų192134.3 Ų134.389%0.88974%0.738SS**PPolyproline II helixtrans-65.5121.4157.9-79.6-76.3000109.7
722T27.1Very low42.4Very low126 Ų126127.1 Ų127.177%0.77370%0.7SS**PPolyproline II helixtrans-71.6122.3173.9500000111.5H720H720-T722 PolarHBondContact O-N 3.49Å
723S30.8Very low45.7Very low117 Ų117125.3 Ų125.382%0.81868%0.681SS**  trans-141.595.8140.760.90000107.6D725S723-D725 PolarHBondContact O-N 3.27Å
724D33Very low48.8Very low146 Ų146119.5 Ų119.578%0.78165%0.645SS**  trans-60.5112.3168.9-74.2-36.2000109.6
725D35.2Very low51.8Low159 Ų159116.4 Ų116.485%0.8563%0.629SS**  trans-13392.5142-131.74.4000104.3S723 C727S723-D725 PolarHBondContact O-N 3.27Å; D725-C727 PolarHBondContact O-N 3.46Å
726E41.3Very low54.6Low186 Ų186114.1 Ų114.187%0.86961%0.613SS**  trans-6387.4172.4-78.5-166.6150.800108.1E728E726-E728 PolarHBondContact O-N 3.09Å
727C48Very low57.4Low95 Ų95112.2 Ų112.264%0.64260%0.598SS**PPolyproline II helixtrans-70.9117168.1-148.70000106.9D725D725-C727 PolarHBondContact O-N 3.46Å
728E66.3Low60.4Low162 Ų162107.1 Ų107.176%0.75757%0.565SS**PPolyproline II helixtrans-51.5131.7176.8-74.9-172.1159.600109.7E726 I730E726-E728 PolarHBondContact O-N 3.09Å; E728-I730 PolarHBondContact O-N 3.35Å; E728-I730 VanDerWaalsContact O-N 3.17Å
729P72.8Confident63.5Low67 Ų67107.4 Ų107.444%0.43556%0.557SS.*PPolyproline II helixtrans-62.1123.8-177.423.4-31.9000110.1L755 L756 Y757P729-L755 HydrophobicContact CB-CD1 3.75Å; P729-L755 HydrophobicContact CB-CD2 3.75Å; P729-L755 HydrophobicContact CB-CG 3.59Å; P729-L755 HydrophobicContact CG-CD1 4.27Å; P729-L755 HydrophobicContact CG-CD2 4.23Å; P729-L755 HydrophobicContact CG-CG 4.42Å; P729-L756 CarbonylContact C-O 3.56Å; P729-L756 WeakPolarHBondContact CA-O 3.35Å; P729-Y757 HydrophobicContact CB-CD1 4.09Å; P729-Y757 HydrophobicContact CB-CE1 4.09Å
730I88.3Confident66.3Low52 Ų5299.4 Ų99.427%0.26752%0.524SS..EExtended strand (participates in β ladder)trans-82.5125.8-173.6-57.5173.6000109.1E728 L756 W765 V783E728-I730 PolarHBondContact O-N 3.35Å; E728-I730 VanDerWaalsContact O-N 3.17Å; I730-L756 HydrophobicContact CB-CB 4.26Å; I730-L756 HydrophobicContact CG2-CD1 4.48Å; I730-L756 PolarHBondContact N-O 3.12Å; I730-L756 PolarHBondContact O-N 2.64Å; I730-W765 HydrophobicContact CD1-CH2 4.09Å; I730-W765 HydrophobicContact CD1-CZ3 4.18Å; I730-V783 HydrophobicContact CG2-CG1 3.38Å
731E91.4Very high68.6Low105 Ų105100.5 Ų100.549%0.49152%0.521SS..EExtended strand (participates in β ladder)trans-77.7132.2173.9-69.6-169.2-179.600111.6L755 Q784E731-L755 HydrophobicContact CG-CD1 4.17Å; E731-Q784 PolarHBondContact O-N 2.81Å
732A91.4Very high70.9Confident0 Ų094.9 Ų94.90%050%0.5CS..EExtended strand (participates in β ladder)trans-132.3154175.200000111.6L754 L756 I781 V782A732-L754 HydrophobicContact CB-CB 4.44Å; A732-L754 PolarHBondContact N-O 2.91Å; A732-L754 PolarHBondContact O-N 3.05Å; A732-L756 HydrophobicContact CB-CD1 3.76Å; A732-L756 HydrophobicContact CB-CD2 4.46Å; A732-L756 HydrophobicContact CB-CG 4.05Å; A732-I781 HydrophobicContact CB-CB 4.31Å; A732-I781 HydrophobicContact CB-CD1 4.1Å; A732-V782 CarbonylContact C-O 3.43Å; A732-V782 VanDerWaalsContact CA-O 3.26Å; A732-V782 WeakPolarHBondContact CA-O 3.32Å; A732-V782 WeakPolarHBondContact CB-O 3.39Å
733I91.8Very high73.2Confident70 Ų7094.3 Ų94.336%0.35951%0.508SS..EExtended strand (participates in β ladder)trans-114.1133.8173.9-53.9-175.8000109.5K735 A752 I781 V782 Q784I733-K735 PolarHBondContact O-N 3.44Å; I733-A752 WeakPolarHBondContact CA-O 3.43Å; I733-I781 CarbonylContact O-C 3.51Å; I733-I781 WeakPolarHBondContact O-CA 3.36Å; I733-V782 PolarHBondContact N-O 3.31Å; I733-V782 PolarHBondContact O-N 3.3Å; I733-Q784 HydrophobicContact CG1-CG 4.41Å; I733-Q784 VanDerWaalsContact CG1-NE2 3.34Å
734A92.6Very high75.7Confident2 Ų298 Ų982%0.01750%0.504CS..EExtended strand (participates in β ladder)trans-62.6117.5172.100000111.8F748 K749 G751 A752 L754 Y780A734-F748 HydrophobicContact CB-CD2 3.44Å; A734-F748 VanDerWaalsContact CB-CD2 3.44Å; A734-F748 HydrophobicContact CB-CE2 3.73Å; A734-K749 VanDerWaalsContact CB-O 3.31Å; A734-K749 WeakPolarHBondContact CB-O 3.44Å; A734-G751 PolarHBondContact O-N 2.88Å; A734-A752 HydrophobicContact CB-CB 4.24Å; A734-A752 PolarHBondContact N-O 3.24Å; A734-L754 HydrophobicContact CB-CD1 4.16Å; A734-Y780 CarbonylContact C-O 3.57Å
735K89Confident78.5Confident108 Ų10892.3 Ų92.347%0.4747%0.473SS..SBendtrans-75.1-30.8175-171.1177.6173.5-173.70112.2I733 K750 Y780 V782I733-K735 PolarHBondContact O-N 3.44Å; K735-K750 VanDerWaalsContact O-CD 3.25Å; K735-K750 WeakPolarHBondContact O-CD 3.45Å; K735-K750 VanDerWaalsContact O-CE 3.23Å; K735-K750 WeakPolarHBondContact O-CE 3.42Å; K735-K750 VanDerWaalsContact O-CG 3.31Å; K735-K750 WeakPolarHBondContact O-CG 3.45Å; K735-Y780 WeakPolarHBondContact CB-O 3.44Å; K735-Y780 PolarHBondContact N-O 3.01Å; K735-V782 HydrophobicContact CB-CG2 4.19Å; K735-V782 HydrophobicContact CD-CG2 4.23Å; K735-V782 HydrophobicContact CG-CG2 4.44Å
736F84.3Confident81.2Confident94 Ų9485.4 Ų85.441%0.41244%0.436SS..SBendtrans-137.7162.1-177.6-54.5-68.7000110.3Y780F736-Y780 HydrophobicContact CB-CD1 3.84Å; F736-Y780 HydrophobicContact CB-CE1 4.27Å; F736-Y780 HydrophobicContact CD2-CD1 4.44Å
737D85.4Confident83.6Confident80 Ų8079.6 Ų79.643%0.42842%0.416SS..  trans-66138.4167.6-76.110.3000109.2K749 K750D737-K749 HydrophobicContact CB-CD 4.33Å; D737-K749 VanDerWaalsContact CG-CD 3.45Å; D737-K749 WeakPolarHBondContact OD2-CD 3.4Å; D737-K749 IonicContact OD2-NZ 2.7Å; D737-K749 PolarHBondContact OD2-NZ 3.02Å; D737-K750 WeakPolarHBondContact OD1-CB 3.47Å; D737-K750 PolarHBondContact OD1-N 2.74Å
738Y90.9Very high85.8Confident19 Ų1975.5 Ų75.58%0.07539%0.387CS..BIsolated β-bridgetrans-132.9132.6173.9-171-105.9000110.7E745 L746 S747 F748 W764 P777 Y780Y738-E745 HydrophobicContact CE1-CB 4.33Å; Y738-E745 PolarHBondContact OH-OE2 2.81Å; Y738-L746 WeakPolarHBondContact CD1-O 3.46Å; Y738-S747 CarbonylContact O-C 3.46Å; Y738-S747 WeakPolarHBondContact O-CA 3.5Å; Y738-F748 VanDerWaalsContact CB-CE2 3.46Å; Y738-F748 VanDerWaalsContact CB-CZ 3.49Å; Y738-F748 AromaticContact CD1-CE1 3.9Å; Y738-F748 HydrophobicContact CD1-CE1 3.9Å; Y738-F748 HydrophobicContact CD1-CZ 4.07Å; Y738-F748 HydrophobicContact CG-CE1 4.27Å; Y738-F748 HydrophobicContact CG-CE2 4.43Å; Y738-F748 AromaticContact CG-CZ 3.99Å; Y738-F748 HydrophobicContact CG-CZ 3.99Å; Y738-F748 PolarHBondContact N-O 3.32Å; Y738-F748 PolarHBondContact O-N 2.9Å; Y738-W764 WeakPolarHBondContact OH-CH2 3.45Å; Y738-P777 HydrophobicContact CD1-CG 3.75Å; Y738-P777 HydrophobicContact CD2-CG 3.7Å; Y738-P777 HydrophobicContact CE1-CG 3.74Å; Y738-P777 HydrophobicContact CE2-CG 3.69Å; Y738-P777 HydrophobicContact CG-CG 3.75Å; Y738-Y780 AromaticContact CD2-CD1 3.74Å; Y738-Y780 HydrophobicContact CD2-CD1 3.74Å; Y738-Y780 HydrophobicContact CD2-CD2 4.31Å; Y738-Y780 AromaticContact CD2-CE1 3.77Å; Y738-Y780 HydrophobicContact CD2-CE1 3.77Å; Y738-Y780 HydrophobicContact CD2-CE2 4.34Å; Y738-Y780 HydrophobicContact CD2-CG 4.04Å; Y738-Y780 HydrophobicContact CG-CD1 4.29Å
739V90.9Very high87.1Confident104 Ų10474 Ų7463%0.6338%0.378SS*.  trans-115.7114.5174.5-178.40000107R741V739-R741 PolarHBondContact O-N 2.86Å
740G84.2Confident88Confident18 Ų1877.6 Ų77.619%0.18639%0.387CS..  trans-60.8131.9179.700000111.1S747G740-S747 PolarHBondContact N-OG 3.14Å
741R75.6Confident87.8Confident209 Ų20977.7 Ų77.779%0.78940%0.401SS*.SBendtrans-91.1-17.6-177.2-60.5-179.9-178.6-1790.3112.2V739 E745V739-R741 PolarHBondContact O-N 2.86Å; R741-E745 PolarHBondContact N-OE2 3.47Å
742T77.8Confident87.8Confident73 Ų7373.6 Ų73.645%0.44839%0.385SS..SBendtrans-126.9161.917763.50000110.7R744 E745T742-R744 PolarHBondContact O-N 3.13Å; T742-R744 VanDerWaalsContact O-N 3.14Å; T742-E745 WeakPolarHBondContact CG2-OE1 3.39Å; T742-E745 PolarHBondContact N-OE1 2.74Å; T742-E745 PolarHBondContact O-N 2.96Å; T742-E745 VanDerWaalsContact OG1-CG 3.3Å; T742-E745 WeakPolarHBondContact OG1-CG 3.28Å; T742-E745 PolarHBondContact OG1-OE1 3.08Å
743A75.2Confident87.8Confident115 Ų11577.3 Ų77.395%0.9541%0.411SS*.THydrogen-bonded Turntrans-63.3-18.3178.100000113.5
744R85.1Confident87.9Confident193 Ų19374.1 Ų74.173%0.72839%0.394SS*.THydrogen-bonded Turntrans-84.7-18174.6-74.6-171.6172.1-169.2-0.4112.9T742 G774 L775T742-R744 PolarHBondContact O-N 3.13Å; T742-R744 VanDerWaalsContact O-N 3.14Å; R744-G774 CarbonylContact O-C 3.57Å; R744-G774 WeakPolarHBondContact O-CA 3.47Å; R744-L775 HydrophobicContact CB-CD1 4.42Å; R744-L775 PolarHBondContact O-N 3.32Å
745E91Very high87.9Confident27 Ų2776.4 Ų76.413%0.12641%0.406CS..BIsolated β-bridgetrans-90.1129-177.9-72.9166.4-125.200112Y738 R741 T742 W764 L775Y738-E745 HydrophobicContact CE1-CB 4.33Å; Y738-E745 PolarHBondContact OH-OE2 2.81Å; R741-E745 PolarHBondContact N-OE2 3.47Å; T742-E745 WeakPolarHBondContact CG2-OE1 3.39Å; T742-E745 PolarHBondContact N-OE1 2.74Å; T742-E745 PolarHBondContact O-N 2.96Å; T742-E745 VanDerWaalsContact OG1-CG 3.3Å; T742-E745 WeakPolarHBondContact OG1-CG 3.28Å; T742-E745 PolarHBondContact OG1-OE1 3.08Å; E745-W764 HydrophobicContact CG-CH2 3.73Å; E745-W764 HydrophobicContact CG-CZ3 3.75Å; E745-L775 HydrophobicContact CG-CB 4.44Å
746L91.4Very high88.1Confident14 Ų1471.2 Ų71.27%0.07338%0.384CS..PPolyproline II helixtrans-80.9127.8-179.3-61.7180000110.7Y738 F748 G767 H769 I772 L775 I776Y738-L746 WeakPolarHBondContact CD1-O 3.46Å; L746-F748 HydrophobicContact CB-CD1 4.42Å; L746-F748 WeakPolarHBondContact O-CD1 3.39Å; L746-F748 VanDerWaalsContact O-CE1 3.31Å; L746-F748 WeakPolarHBondContact O-CE1 3.49Å; L746-G767 WeakPolarHBondContact CD1-O 3.37Å; L746-H769 HydrophobicContact CB-CB 4.42Å; L746-H769 HydrophobicContact CD1-CB 3.94Å; L746-I772 WeakPolarHBondContact CD1-O 3.4Å; L746-I772 HydrophobicContact CD2-CB 4.12Å; L746-I772 HydrophobicContact CD2-CG2 3.78Å; L746-L775 PolarHBondContact N-O 3.33Å; L746-I776 HydrophobicContact CB-CG1 4.35Å; L746-I776 HydrophobicContact CD1-CD1 4.09Å; L746-I776 HydrophobicContact CD1-CG1 3.93Å
747S92.9Very high88.2Confident65 Ų6570.2 Ų70.246%0.45538%0.378SS..PPolyproline II helixtrans-86.4133.6171.5-60.70000110.5Y738 G740 H769Y738-S747 CarbonylContact O-C 3.46Å; Y738-S747 WeakPolarHBondContact O-CA 3.5Å; G740-S747 PolarHBondContact N-OG 3.14Å; S747-H769 PolarHBondContact O-CD2 3.18Å
748F93.8Very high88.2Confident8 Ų871.6 Ų71.64%0.03538%0.381CS..BIsolated β-bridgetrans-151159-178.950-98.1000112.1A734 Y738 L746 A752 L754 I776 P777 I781A734-F748 HydrophobicContact CB-CD2 3.44Å; A734-F748 VanDerWaalsContact CB-CD2 3.44Å; A734-F748 HydrophobicContact CB-CE2 3.73Å; Y738-F748 VanDerWaalsContact CB-CE2 3.46Å; Y738-F748 VanDerWaalsContact CB-CZ 3.49Å; Y738-F748 AromaticContact CD1-CE1 3.9Å; Y738-F748 HydrophobicContact CD1-CE1 3.9Å; Y738-F748 HydrophobicContact CD1-CZ 4.07Å; Y738-F748 HydrophobicContact CG-CE1 4.27Å; Y738-F748 HydrophobicContact CG-CE2 4.43Å; Y738-F748 AromaticContact CG-CZ 3.99Å; Y738-F748 HydrophobicContact CG-CZ 3.99Å; Y738-F748 PolarHBondContact N-O 3.32Å; Y738-F748 PolarHBondContact O-N 2.9Å; L746-F748 HydrophobicContact CB-CD1 4.42Å; L746-F748 WeakPolarHBondContact O-CD1 3.39Å; L746-F748 VanDerWaalsContact O-CE1 3.31Å; L746-F748 WeakPolarHBondContact O-CE1 3.49Å; F748-A752 HydrophobicContact CB-CB 4.16Å; F748-L754 HydrophobicContact CB-CD2 4.13Å; F748-L754 HydrophobicContact CD1-CD1 4.24Å; F748-L754 HydrophobicContact CD1-CD2 3.99Å; F748-L754 HydrophobicContact CD2-CD1 4.1Å; F748-L754 HydrophobicContact CE1-CD1 4.21Å; F748-L754 HydrophobicContact CE2-CD1 4.04Å; F748-L754 HydrophobicContact CG-CD1 4.18Å; F748-L754 HydrophobicContact CG-CD2 4.03Å; F748-L754 HydrophobicContact CZ-CD1 4.09Å; F748-I776 HydrophobicContact CE1-CB 4.5Å; F748-I776 HydrophobicContact CE1-CG1 4.44Å; F748-I776 HydrophobicContact CE1-CG2 3.86Å; F748-I776 HydrophobicContact CZ-CG2 3.97Å; F748-P777 HydrophobicContact CZ-CG 4.24Å; F748-I781 HydrophobicContact CE2-CG2 4.31Å; F748-I781 HydrophobicContact CZ-CG2 4.17Å
749K92.8Very high88Confident130 Ų13075.9 Ų75.957%0.56540%0.397SS*.  trans-100.7152.1178.4-69.8-61.3-167.7-178.70111.1A734 D737 G751 A752A734-K749 VanDerWaalsContact CB-O 3.31Å; A734-K749 WeakPolarHBondContact CB-O 3.44Å; D737-K749 HydrophobicContact CB-CD 4.33Å; D737-K749 VanDerWaalsContact CG-CD 3.45Å; D737-K749 WeakPolarHBondContact OD2-CD 3.4Å; D737-K749 IonicContact OD2-NZ 2.7Å; D737-K749 PolarHBondContact OD2-NZ 3.02Å; K749-G751 PolarHBondContact O-N 2.97Å; K749-A752 WeakPolarHBondContact O-CB 3.46Å; K749-A752 PolarHBondContact O-N 3.27Å
750K91.8Very high87.3Confident144 Ų14473.3 Ų73.363%0.62639%0.387SS*.THydrogen-bonded Turntrans-50.7130.8172.9178.9175-177.5-178.30110.1K735 D737K735-K750 VanDerWaalsContact O-CD 3.25Å; K735-K750 WeakPolarHBondContact O-CD 3.45Å; K735-K750 VanDerWaalsContact O-CE 3.23Å; K735-K750 WeakPolarHBondContact O-CE 3.42Å; K735-K750 VanDerWaalsContact O-CG 3.31Å; K735-K750 WeakPolarHBondContact O-CG 3.45Å; D737-K750 WeakPolarHBondContact OD1-CB 3.47Å; D737-K750 PolarHBondContact OD1-N 2.74Å
751G84.5Confident87.3Confident54 Ų5475 Ų7556%0.55740%0.396SS*.THydrogen-bonded Turntrans87-2.9-175.600000114.8A734 K749A734-G751 PolarHBondContact O-N 2.88Å; K749-G751 PolarHBondContact O-N 2.97Å
752A91.3Very high87.2Confident18 Ų1871.5 Ų71.515%0.14939%0.393CS..  trans-65.7138.5173.300000111.6I733 A734 F748 K749I733-A752 WeakPolarHBondContact CA-O 3.43Å; A734-A752 HydrophobicContact CB-CB 4.24Å; A734-A752 PolarHBondContact N-O 3.24Å; F748-A752 HydrophobicContact CB-CB 4.16Å; K749-A752 WeakPolarHBondContact O-CB 3.46Å; K749-A752 PolarHBondContact O-N 3.27Å
753S92.5Very high87.6Confident79 Ų7971.8 Ų71.855%0.55239%0.392SS*.EExtended strand (participates in β ladder)trans-80.1134.1169.7176.70000109.8H769S753-H769 PolarHBondContact O-ND1 2.98Å
754L93.3Very high88.4Confident2 Ų269.5 Ų69.51%0.0136%0.359CS..EExtended strand (participates in β ladder)trans-132143.3-174.4-60.3170.9000108.4A732 A734 F748 H769 I776 I781A732-L754 HydrophobicContact CB-CB 4.44Å; A732-L754 PolarHBondContact N-O 2.91Å; A732-L754 PolarHBondContact O-N 3.05Å; A734-L754 HydrophobicContact CB-CD1 4.16Å; F748-L754 HydrophobicContact CB-CD2 4.13Å; F748-L754 HydrophobicContact CD1-CD1 4.24Å; F748-L754 HydrophobicContact CD1-CD2 3.99Å; F748-L754 HydrophobicContact CD2-CD1 4.1Å; F748-L754 HydrophobicContact CE1-CD1 4.21Å; F748-L754 HydrophobicContact CE2-CD1 4.04Å; F748-L754 HydrophobicContact CG-CD1 4.18Å; F748-L754 HydrophobicContact CG-CD2 4.03Å; F748-L754 HydrophobicContact CZ-CD1 4.09Å; L754-H769 HydrophobicContact CD2-CB 3.57Å; L754-H769 WeakPolarHBondContact CD2-ND1 3.48Å; L754-I776 HydrophobicContact CB-CD1 4.12Å; L754-I776 HydrophobicContact CD1-CD1 4.5Å; L754-I776 HydrophobicContact CD1-CG2 3.97Å; L754-I776 HydrophobicContact CD2-CD1 4.18Å; L754-I781 HydrophobicContact CD1-CG2 3.4Å; L754-I781 VanDerWaalsContact CD1-CG2 3.4Å
755L92.6Very high88.7Confident50 Ų5061.5 Ų61.526%0.26233%0.329SS..EExtended strand (participates in β ladder)trans-113122179.3-161.774.6000108.7P729 E731 Y757 G767 R768P729-L755 HydrophobicContact CB-CD1 3.75Å; P729-L755 HydrophobicContact CB-CD2 3.75Å; P729-L755 HydrophobicContact CB-CG 3.59Å; P729-L755 HydrophobicContact CG-CD1 4.27Å; P729-L755 HydrophobicContact CG-CD2 4.23Å; P729-L755 HydrophobicContact CG-CG 4.42Å; E731-L755 HydrophobicContact CG-CD1 4.17Å; L755-Y757 HydrophobicContact CD2-CE1 3.81Å; L755-Y757 HydrophobicContact CG-CE1 4.34Å; L755-G767 CarbonylContact O-C 3.5Å; L755-G767 WeakPolarHBondContact O-CA 3.34Å; L755-R768 HydrophobicContact CB-CB 4.34Å; L755-R768 PolarHBondContact N-O 3.33Å; L755-R768 VanDerWaalsContact N-O 3.09Å; L755-R768 PolarHBondContact O-N 3.22Å
756L92.3Very high88.8Confident0 Ų064 Ų640%034%0.34CS..EExtended strand (participates in β ladder)trans-105.4133.8-177.6-46.6171.7000110P729 I730 A732 W765 I776 I781 V783P729-L756 CarbonylContact C-O 3.56Å; P729-L756 WeakPolarHBondContact CA-O 3.35Å; I730-L756 HydrophobicContact CB-CB 4.26Å; I730-L756 HydrophobicContact CG2-CD1 4.48Å; I730-L756 PolarHBondContact N-O 3.12Å; I730-L756 PolarHBondContact O-N 2.64Å; A732-L756 HydrophobicContact CB-CD1 3.76Å; A732-L756 HydrophobicContact CB-CD2 4.46Å; A732-L756 HydrophobicContact CB-CG 4.05Å; L756-W765 HydrophobicContact CB-CD2 4.22Å; L756-W765 HydrophobicContact CB-CE3 3.69Å; L756-W765 HydrophobicContact CB-CZ3 4.21Å; L756-W765 HydrophobicContact CD1-CD2 3.87Å; L756-W765 HydrophobicContact CD1-CE3 4.06Å; L756-W765 HydrophobicContact CD1-CG 4.16Å; L756-W765 HydrophobicContact CD1-CZ3 4.49Å; L756-W765 HydrophobicContact CD2-CB 3.78Å; L756-W765 HydrophobicContact CD2-CD2 4.48Å; L756-W765 HydrophobicContact CD2-CG 4.09Å; L756-W765 HydrophobicContact CG-CD2 4.43Å; L756-W765 HydrophobicContact CG-CE3 4.38Å; L756-I776 HydrophobicContact CD2-CB 4.3Å; L756-I776 HydrophobicContact CD2-CD1 3.86Å; L756-I776 HydrophobicContact CD2-CG2 4.22Å; L756-I781 HydrophobicContact CD1-CD1 3.69Å; L756-I781 HydrophobicContact CD2-CD1 3.78Å; L756-I781 HydrophobicContact CG-CD1 4.35Å; L756-V783 HydrophobicContact CD1-CG2 3.95Å
757Y86.9Confident88.9Confident73 Ų7363.4 Ų63.429%0.28634%0.337SS..EExtended strand (participates in β ladder)trans-98.7-57.2179.2-58.7-51.3000111.5P729 L755 E766 R768P729-Y757 HydrophobicContact CB-CD1 4.09Å; P729-Y757 HydrophobicContact CB-CE1 4.09Å; L755-Y757 HydrophobicContact CD2-CE1 3.81Å; L755-Y757 HydrophobicContact CG-CE1 4.34Å; Y757-E766 PolarHBondContact N-O 3.01Å; Y757-R768 HydrophobicContact CE2-CB 3.95Å; Y757-R768 WeakPolarHBondContact OH-CB 3.41Å; Y757-R768 WeakPolarHBondContact OH-CD 3.3Å; Y757-R768 PolarHBondContact OH-NE 3.22Å; Y757-R768 PolarHBondContact OH-NH1 3.13Å; Y757-R768 PolarHBondContact OH-NH2 3.21Å
758Q85.8Confident88.9Confident108 Ų10865.1 Ų65.151%0.50533%0.334SS..EExtended strand (participates in β ladder)trans-148.1158.2-178.967.5173.310.100111.5A760 W765 E766Q758-A760 PolarHBondContact O-N 3.16Å; Q758-W765 VanDerWaalsContact C-CE3 3.41Å; Q758-W765 WeakPolarHBondContact O-CA 3.34Å; Q758-E766 HydrophobicContact CG-CB 4.02Å; Q758-E766 WeakPolarHBondContact CG-OE2 3.4Å; Q758-E766 PolarHBondContact N-O 3.43Å; Q758-E766 PolarHBondContact NE2-OE2 2.93Å; Q758-E766 PolarHBondContact O-N 3.48Å
759R85.9Confident88.8Confident109 Ų10966 Ų6641%0.41134%0.338SS..EExtended strand (participates in β ladder)trans-86.6110.5177.4-164.8156.2-173.5154.8-4.1109.3S761 D762 W765 H778R759-S761 WeakPolarHBondContact CG-O 2.98Å; R759-S761 PolarHBondContact NE-O 3.26Å; R759-D762 PolarHBondContact NH2-O 2.89Å; R759-W765 HydrophobicContact CB-CD2 4.2Å; R759-W765 HydrophobicContact CB-CE3 4.09Å; R759-W765 HydrophobicContact CB-CH2 4.1Å; R759-W765 HydrophobicContact CB-CZ2 4.2Å; R759-W765 HydrophobicContact CB-CZ3 4.04Å; R759-W765 HydrophobicContact CG-CD2 4.3Å; R759-W765 HydrophobicContact CG-CZ2 4.22Å; R759-H778 PolarHBondContact NH1-CE1 3.32Å; R759-H778 PolarHBondContact NH2-CD2 3.44Å; R759-H778 PolarHBondContact NH2-NE2 3.41Å; R759-H778 VanDerWaalsContact NH2-NE2 3.13Å
760A77.8Confident88.5Confident51 Ų5166.6 Ų66.642%0.42135%0.347SS..  trans-77.5-29-179.700000112.4Q758 W764 E766 L775Q758-A760 PolarHBondContact O-N 3.16Å; A760-W764 HydrophobicContact CB-CB 4.45Å; A760-W764 PolarHBondContact N-O 2.99Å; A760-E766 HydrophobicContact CB-CG 4.22Å; A760-L775 HydrophobicContact CB-CD2 4.06Å
761S82.8Confident88.1Confident52 Ų5262.7 Ų62.736%0.36435%0.348SS..SBendtrans-162.7-179.5170.762.10000110.8R759 D763 W764R759-S761 WeakPolarHBondContact CG-O 2.98Å; R759-S761 PolarHBondContact NE-O 3.26Å; S761-D763 PolarHBondContact O-N 3.28Å; S761-D763 VanDerWaalsContact O-N 3.12Å; S761-W764 PolarHBondContact N-O 3.35Å; S761-W764 VanDerWaalsContact N-O 3.07Å; S761-W764 PolarHBondContact O-N 3.22Å; S761-W764 VanDerWaalsContact O-O 3.08Å; S761-W764 PolarHBondContact OG-N 3.26Å
762D74.3Confident88.2Confident136 Ų13665.5 Ų65.573%0.72735%0.349SS*.SBendtrans-55.3-31.1175.5-72.1-23.6000112.8R759R759-D762 PolarHBondContact NH2-O 2.89Å
763D86.3Confident88.2Confident79 Ų7968.9 Ų68.942%0.42237%0.365SS..SBendtrans-102-11-176.6-68.6-46.1000114.3S761 P777 H778S761-D763 PolarHBondContact O-N 3.28Å; S761-D763 VanDerWaalsContact O-N 3.12Å; D763-P777 CarbonylContact O-C 3.59Å; D763-P777 WeakPolarHBondContact O-CA 3.26Å; D763-H778 PolarHBondContact O-N 2.91Å
764W90.9Very high88.1Confident68 Ų6865.8 Ų65.826%0.25835%0.346SS..EExtended strand (participates in β ladder)trans-137.3142.3-169.3-63.893.6000114.5Y738 E745 A760 S761 L775 P777Y738-W764 WeakPolarHBondContact OH-CH2 3.45Å; E745-W764 HydrophobicContact CG-CH2 3.73Å; E745-W764 HydrophobicContact CG-CZ3 3.75Å; A760-W764 HydrophobicContact CB-CB 4.45Å; A760-W764 PolarHBondContact N-O 2.99Å; S761-W764 PolarHBondContact N-O 3.35Å; S761-W764 VanDerWaalsContact N-O 3.07Å; S761-W764 PolarHBondContact O-N 3.22Å; S761-W764 VanDerWaalsContact O-O 3.08Å; S761-W764 PolarHBondContact OG-N 3.26Å; W764-L775 HydrophobicContact CE3-CB 3.77Å; W764-L775 HydrophobicContact CZ3-CB 4.12Å; W764-P777 HydrophobicContact CE3-CB 3.99Å; W764-P777 HydrophobicContact CH2-CB 4.12Å; W764-P777 HydrophobicContact CH2-CG 4.48Å; W764-P777 HydrophobicContact CZ3-CB 3.78Å; W764-P777 HydrophobicContact CZ3-CG 4.04Å
765W92.9Very high88.1Confident25 Ų2567.7 Ų67.710%0.09536%0.355CS..EExtended strand (participates in β ladder)trans-113.9141.9171.2-73.581.5000110.6I730 L756 Q758 R759 L775 I776 H778I730-W765 HydrophobicContact CD1-CH2 4.09Å; I730-W765 HydrophobicContact CD1-CZ3 4.18Å; L756-W765 HydrophobicContact CB-CD2 4.22Å; L756-W765 HydrophobicContact CB-CE3 3.69Å; L756-W765 HydrophobicContact CB-CZ3 4.21Å; L756-W765 HydrophobicContact CD1-CD2 3.87Å; L756-W765 HydrophobicContact CD1-CE3 4.06Å; L756-W765 HydrophobicContact CD1-CG 4.16Å; L756-W765 HydrophobicContact CD1-CZ3 4.49Å; L756-W765 HydrophobicContact CD2-CB 3.78Å; L756-W765 HydrophobicContact CD2-CD2 4.48Å; L756-W765 HydrophobicContact CD2-CG 4.09Å; L756-W765 HydrophobicContact CG-CD2 4.43Å; L756-W765 HydrophobicContact CG-CE3 4.38Å; Q758-W765 VanDerWaalsContact C-CE3 3.41Å; Q758-W765 WeakPolarHBondContact O-CA 3.34Å; R759-W765 HydrophobicContact CB-CD2 4.2Å; R759-W765 HydrophobicContact CB-CE3 4.09Å; R759-W765 HydrophobicContact CB-CH2 4.1Å; R759-W765 HydrophobicContact CB-CZ2 4.2Å; R759-W765 HydrophobicContact CB-CZ3 4.04Å; R759-W765 HydrophobicContact CG-CD2 4.3Å; R759-W765 HydrophobicContact CG-CZ2 4.22Å; W765-L775 CarbonylContact O-C 3.34Å; W765-L775 VanDerWaalsContact O-CA 3.3Å; W765-L775 WeakPolarHBondContact O-CA 3.38Å; W765-I776 HydrophobicContact CB-CB 4.42Å; W765-I776 PolarHBondContact N-O 3.37Å; W765-I776 PolarHBondContact O-N 3.16Å; W765-H778 AromaticContact CD1-ND1 3.72Å; W765-H778 AromaticContact NE1-CE1 3.89Å; W765-H778 AromaticContact NE1-CG 3.66Å; W765-H778 AromaticContact NE1-ND1 3.02Å; W765-H778 PolarHBondContact NE1-ND1 2.84Å
766E92.8Very high88.1Confident80 Ų8065.3 Ų65.337%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-80.8131.1158.2-80.3174.7-172.500108.8Y757 Q758 A760 L775Y757-E766 PolarHBondContact N-O 3.01Å; Q758-E766 HydrophobicContact CG-CB 4.02Å; Q758-E766 WeakPolarHBondContact CG-OE2 3.4Å; Q758-E766 PolarHBondContact N-O 3.43Å; Q758-E766 PolarHBondContact NE2-OE2 2.93Å; Q758-E766 PolarHBondContact O-N 3.48Å; A760-E766 HydrophobicContact CB-CG 4.22Å; E766-L775 HydrophobicContact CG-CD2 3.82Å
767G92.4Very high88.2Confident1 Ų165.7 Ų65.71%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-166-173.2-176.900000113L746 L755 D773 G774L746-G767 WeakPolarHBondContact CD1-O 3.37Å; L755-G767 CarbonylContact O-C 3.5Å; L755-G767 WeakPolarHBondContact O-CA 3.34Å; G767-D773 CarbonylContact O-C 3.59Å; G767-D773 WeakPolarHBondContact O-CA 3.49Å; G767-G774 PolarHBondContact N-O 3.14Å; G767-G774 PolarHBondContact O-N 2.71Å
768R92.6Very high88.4Confident101 Ų10165 Ų6538%0.38135%0.345SS..EExtended strand (participates in β ladder)trans-127.9137.3-175.4-175.2174.8-75163.58111.2L755 Y757 I772 D773L755-R768 HydrophobicContact CB-CB 4.34Å; L755-R768 PolarHBondContact N-O 3.33Å; L755-R768 VanDerWaalsContact N-O 3.09Å; L755-R768 PolarHBondContact O-N 3.22Å; Y757-R768 HydrophobicContact CE2-CB 3.95Å; Y757-R768 WeakPolarHBondContact OH-CB 3.41Å; Y757-R768 WeakPolarHBondContact OH-CD 3.3Å; Y757-R768 PolarHBondContact OH-NE 3.22Å; Y757-R768 PolarHBondContact OH-NH1 3.13Å; Y757-R768 PolarHBondContact OH-NH2 3.21Å; R768-I772 WeakPolarHBondContact CA-O 3.48Å; R768-D773 VanDerWaalsContact CB-OD1 3.32Å; R768-D773 WeakPolarHBondContact CB-OD1 3.29Å; R768-D773 WeakPolarHBondContact CG-OD1 3.41Å; R768-D773 IonicContact CZ-OD1 3.71Å; R768-D773 VanDerWaalsContact CZ-OD1 3.28Å; R768-D773 IonicContact CZ-OD2 2.72Å; R768-D773 IonicContact NE-OD1 3.18Å; R768-D773 PolarHBondContact NE-OD1 3.14Å; R768-D773 IonicContact NE-OD2 2.91Å; R768-D773 IonicContact NH2-OD1 2.63Å; R768-D773 PolarHBondContact NH2-OD1 3.14Å; R768-D773 VanDerWaalsContact NH2-OD1 3.09Å; R768-D773 IonicContact NH2-OD2 2.78Å; R768-D773 PolarHBondContact NH2-OD2 3.29Å
769H92.8Very high88.6Confident26 Ų2666.3 Ų66.312%0.1235%0.351CS..EExtended strand (participates in β ladder)trans-136.4129.5168.9-174.852.8000109.7L746 S747 S753 L754 G771 I772L746-H769 HydrophobicContact CB-CB 4.42Å; L746-H769 HydrophobicContact CD1-CB 3.94Å; S747-H769 PolarHBondContact O-CD2 3.18Å; S753-H769 PolarHBondContact O-ND1 2.98Å; L754-H769 HydrophobicContact CD2-CB 3.57Å; L754-H769 WeakPolarHBondContact CD2-ND1 3.48Å; H769-G771 PolarHBondContact O-N 3.23Å; H769-G771 VanDerWaalsContact O-N 3.12Å; H769-I772 PolarHBondContact N-O 2.77Å; H769-I772 PolarHBondContact O-N 3.16Å
770N86.6Confident88.9Confident142 Ų14265 Ų6576%0.75935%0.347SS*.THydrogen-bonded Turntrans50.434.7-179-65.2-22.9000114.8
771G82.4Confident89.6Confident63 Ų6363.2 Ų63.265%0.64933%0.33SS*.THydrogen-bonded Turntrans82.85.8178.700000115.4H769H769-G771 PolarHBondContact O-N 3.23Å; H769-G771 VanDerWaalsContact O-N 3.12Å
772I87.6Confident89.9Confident112 Ų11264.6 Ų64.657%0.57434%0.336SS*.EExtended strand (participates in β ladder)trans-110.1129.8176.6-54.3176.9000108.9L746 R768 H769L746-I772 WeakPolarHBondContact CD1-O 3.4Å; L746-I772 HydrophobicContact CD2-CB 4.12Å; L746-I772 HydrophobicContact CD2-CG2 3.78Å; R768-I772 WeakPolarHBondContact CA-O 3.48Å; H769-I772 PolarHBondContact N-O 2.77Å; H769-I772 PolarHBondContact O-N 3.16Å
773D91.6Very high90.5Very high89 Ų8960.2 Ų60.248%0.47631%0.314SS..EExtended strand (participates in β ladder)trans-87.2141.6175.9-67.1-26.9000111.2G767 R768G767-D773 CarbonylContact O-C 3.59Å; G767-D773 WeakPolarHBondContact O-CA 3.49Å; R768-D773 VanDerWaalsContact CB-OD1 3.32Å; R768-D773 WeakPolarHBondContact CB-OD1 3.29Å; R768-D773 WeakPolarHBondContact CG-OD1 3.41Å; R768-D773 IonicContact CZ-OD1 3.71Å; R768-D773 VanDerWaalsContact CZ-OD1 3.28Å; R768-D773 IonicContact CZ-OD2 2.72Å; R768-D773 IonicContact NE-OD1 3.18Å; R768-D773 PolarHBondContact NE-OD1 3.14Å; R768-D773 IonicContact NE-OD2 2.91Å; R768-D773 IonicContact NH2-OD1 2.63Å; R768-D773 PolarHBondContact NH2-OD1 3.14Å; R768-D773 VanDerWaalsContact NH2-OD1 3.09Å; R768-D773 IonicContact NH2-OD2 2.78Å; R768-D773 PolarHBondContact NH2-OD2 3.29Å
774G90.4Very high90Very high15 Ų1560.8 Ų60.816%0.15531%0.314CS..EExtended strand (participates in β ladder)trans173.9-169.2-179.900000113.2R744 G767R744-G774 CarbonylContact O-C 3.57Å; R744-G774 WeakPolarHBondContact O-CA 3.47Å; G767-G774 PolarHBondContact N-O 3.14Å; G767-G774 PolarHBondContact O-N 2.71Å
775L92.2Very high88.3Confident41 Ų4164.7 Ų64.722%0.21534%0.34CS..EExtended strand (participates in β ladder)trans-88.5133.3-176.5-64.9175.4000111.5R744 E745 L746 A760 W764 W765 E766R744-L775 HydrophobicContact CB-CD1 4.42Å; R744-L775 PolarHBondContact O-N 3.32Å; E745-L775 HydrophobicContact CG-CB 4.44Å; L746-L775 PolarHBondContact N-O 3.33Å; A760-L775 HydrophobicContact CB-CD2 4.06Å; W764-L775 HydrophobicContact CE3-CB 3.77Å; W764-L775 HydrophobicContact CZ3-CB 4.12Å; W765-L775 CarbonylContact O-C 3.34Å; W765-L775 VanDerWaalsContact O-CA 3.3Å; W765-L775 WeakPolarHBondContact O-CA 3.38Å; E766-L775 HydrophobicContact CG-CD2 3.82Å
776I93.8Very high86Confident0 Ų069.4 Ų69.40%037%0.372CS..EExtended strand (participates in β ladder)trans-121.4122.4179.8-60.8175.9000108.2L746 F748 L754 L756 W765 H778 I781L746-I776 HydrophobicContact CB-CG1 4.35Å; L746-I776 HydrophobicContact CD1-CD1 4.09Å; L746-I776 HydrophobicContact CD1-CG1 3.93Å; F748-I776 HydrophobicContact CE1-CB 4.5Å; F748-I776 HydrophobicContact CE1-CG1 4.44Å; F748-I776 HydrophobicContact CE1-CG2 3.86Å; F748-I776 HydrophobicContact CZ-CG2 3.97Å; L754-I776 HydrophobicContact CB-CD1 4.12Å; L754-I776 HydrophobicContact CD1-CD1 4.5Å; L754-I776 HydrophobicContact CD1-CG2 3.97Å; L754-I776 HydrophobicContact CD2-CD1 4.18Å; L756-I776 HydrophobicContact CD2-CB 4.3Å; L756-I776 HydrophobicContact CD2-CD1 3.86Å; L756-I776 HydrophobicContact CD2-CG2 4.22Å; W765-I776 HydrophobicContact CB-CB 4.42Å; W765-I776 PolarHBondContact N-O 3.37Å; W765-I776 PolarHBondContact O-N 3.16Å; I776-H778 PolarHBondContact O-N 3.19Å; I776-I781 HydrophobicContact CG2-CD1 4.04Å; I776-I781 HydrophobicContact CG2-CG2 3.63Å
777P93.1Very high83.2Confident9 Ų973.3 Ų73.36%0.05839%0.394CS..EExtended strand (participates in β ladder)trans-73.7126.9-178.225.4-29.7000111.7Y738 F748 D763 W764 Q779 Y780Y738-P777 HydrophobicContact CD1-CG 3.75Å; Y738-P777 HydrophobicContact CD2-CG 3.7Å; Y738-P777 HydrophobicContact CE1-CG 3.74Å; Y738-P777 HydrophobicContact CE2-CG 3.69Å; Y738-P777 HydrophobicContact CG-CG 3.75Å; F748-P777 HydrophobicContact CZ-CG 4.24Å; D763-P777 CarbonylContact O-C 3.59Å; D763-P777 WeakPolarHBondContact O-CA 3.26Å; W764-P777 HydrophobicContact CE3-CB 3.99Å; W764-P777 HydrophobicContact CH2-CB 4.12Å; W764-P777 HydrophobicContact CH2-CG 4.48Å; W764-P777 HydrophobicContact CZ3-CB 3.78Å; W764-P777 HydrophobicContact CZ3-CG 4.04Å; P777-Q779 VanDerWaalsContact C-N 3.33Å; P777-Q779 PolarHBondContact O-N 3.22Å; P777-Y780 HydrophobicContact CB-CD2 3.96Å; P777-Y780 HydrophobicContact CG-CD2 3.92Å; P777-Y780 HydrophobicContact CG-CG 4.06Å; P777-Y780 PolarHBondContact O-N 3.27Å; P777-Y780 VanDerWaalsContact O-N 3.16Å
778H92.1Very high80.4Confident57 Ų5781 Ų8126%0.26443%0.434SS..G310 helixtrans-59.6-38.9-173.8-178.658.3000113.3R759 D763 W765 I776 Y780 I781R759-H778 PolarHBondContact NH1-CE1 3.32Å; R759-H778 PolarHBondContact NH2-CD2 3.44Å; R759-H778 PolarHBondContact NH2-NE2 3.41Å; R759-H778 VanDerWaalsContact NH2-NE2 3.13Å; D763-H778 PolarHBondContact O-N 2.91Å; W765-H778 AromaticContact CD1-ND1 3.72Å; W765-H778 AromaticContact NE1-CE1 3.89Å; W765-H778 AromaticContact NE1-CG 3.66Å; W765-H778 AromaticContact NE1-ND1 3.02Å; W765-H778 PolarHBondContact NE1-ND1 2.84Å; I776-H778 PolarHBondContact O-N 3.19Å; H778-Y780 PolarHBondContact O-N 3.29Å; H778-I781 VanDerWaalsContact O-CG1 3.22Å; H778-I781 WeakPolarHBondContact O-CG1 3.47Å; H778-I781 PolarHBondContact O-N 2.98Å
779Q90.4Very high77.3Confident136 Ų13684.9 Ų84.964%0.63648%0.476SS*.G310 helixtrans-68.1-16-177.6-60.4-172.68.300113.9P777P777-Q779 VanDerWaalsContact C-N 3.33Å; P777-Q779 PolarHBondContact O-N 3.22Å
780Y91.2Very high76.6Confident82 Ų8287.8 Ų87.832%0.32249%0.494SS..G310 helixtrans-97-0.3-176-75.2-108.9000113A734 K735 F736 Y738 P777 H778A734-Y780 CarbonylContact C-O 3.57Å; K735-Y780 WeakPolarHBondContact CB-O 3.44Å; K735-Y780 PolarHBondContact N-O 3.01Å; F736-Y780 HydrophobicContact CB-CD1 3.84Å; F736-Y780 HydrophobicContact CB-CE1 4.27Å; F736-Y780 HydrophobicContact CD2-CD1 4.44Å; Y738-Y780 AromaticContact CD2-CD1 3.74Å; Y738-Y780 HydrophobicContact CD2-CD1 3.74Å; Y738-Y780 HydrophobicContact CD2-CD2 4.31Å; Y738-Y780 AromaticContact CD2-CE1 3.77Å; Y738-Y780 HydrophobicContact CD2-CE1 3.77Å; Y738-Y780 HydrophobicContact CD2-CE2 4.34Å; Y738-Y780 HydrophobicContact CD2-CG 4.04Å; Y738-Y780 HydrophobicContact CG-CD1 4.29Å; P777-Y780 HydrophobicContact CB-CD2 3.96Å; P777-Y780 HydrophobicContact CG-CD2 3.92Å; P777-Y780 HydrophobicContact CG-CG 4.06Å; P777-Y780 PolarHBondContact O-N 3.27Å; P777-Y780 VanDerWaalsContact O-N 3.16Å; H778-Y780 PolarHBondContact O-N 3.29Å
781I91.9Very high76Confident13 Ų1384.9 Ų84.97%0.06748%0.48CS..EExtended strand (participates in β ladder)trans-127.4157.4-174.161.7167.6000111.1A732 I733 F748 L754 L756 I776 H778A732-I781 HydrophobicContact CB-CB 4.31Å; A732-I781 HydrophobicContact CB-CD1 4.1Å; I733-I781 CarbonylContact O-C 3.51Å; I733-I781 WeakPolarHBondContact O-CA 3.36Å; F748-I781 HydrophobicContact CE2-CG2 4.31Å; F748-I781 HydrophobicContact CZ-CG2 4.17Å; L754-I781 HydrophobicContact CD1-CG2 3.4Å; L754-I781 VanDerWaalsContact CD1-CG2 3.4Å; L756-I781 HydrophobicContact CD1-CD1 3.69Å; L756-I781 HydrophobicContact CD2-CD1 3.78Å; L756-I781 HydrophobicContact CG-CD1 4.35Å; I776-I781 HydrophobicContact CG2-CD1 4.04Å; I776-I781 HydrophobicContact CG2-CG2 3.63Å; H778-I781 VanDerWaalsContact O-CG1 3.22Å; H778-I781 WeakPolarHBondContact O-CG1 3.47Å; H778-I781 PolarHBondContact O-N 2.98Å
782V89.8Confident75.7Confident81 Ų8186.2 Ų86.249%0.49147%0.471SS..EExtended strand (participates in β ladder)trans-118.4118.8168179.70000107A732 I733 K735A732-V782 CarbonylContact C-O 3.43Å; A732-V782 VanDerWaalsContact CA-O 3.26Å; A732-V782 WeakPolarHBondContact CA-O 3.32Å; A732-V782 WeakPolarHBondContact CB-O 3.39Å; I733-V782 PolarHBondContact N-O 3.31Å; I733-V782 PolarHBondContact O-N 3.3Å; K735-V782 HydrophobicContact CB-CG2 4.19Å; K735-V782 HydrophobicContact CD-CG2 4.23Å; K735-V782 HydrophobicContact CG-CG2 4.44Å
783V86.8Confident75Confident45 Ų4584.6 Ų84.627%0.27346%0.464SS..EExtended strand (participates in β ladder)trans-70.8128172.9174.40000108.1I730 L756 D785I730-V783 HydrophobicContact CG2-CG1 3.38Å; L756-V783 HydrophobicContact CD1-CG2 3.95Å; V783-D785 PolarHBondContact O-N 3.46Å
784Q75.8Confident73.9Confident91 Ų9184.4 Ų84.443%0.42546%0.464SS..  trans-79114.4172.8-67.3-172.340.300108.3E731 I733 T786E731-Q784 PolarHBondContact O-N 2.81Å; I733-Q784 HydrophobicContact CG1-CG 4.41Å; I733-Q784 VanDerWaalsContact CG1-NE2 3.34Å; Q784-T786 PolarHBondContact O-N 3.17Å; Q784-T786 VanDerWaalsContact O-N 3.16Å
785D54.9Low72.8Confident149 Ų14989 Ų8980%0.79748%0.484SS*.  trans-61.6117.7173.6-73.6-31.6000109.5V783 L787V783-D785 PolarHBondContact O-N 3.46Å; D785-L787 VanDerWaalsContact C-N 3.35Å; D785-L787 PolarHBondContact O-N 3.34Å
786T45.4Very low71.5Confident125 Ų12592.4 Ų92.477%0.76750%0.504SS*.  trans-64.597.7162.726.50000108Q784 I788Q784-T786 PolarHBondContact O-N 3.17Å; Q784-T786 VanDerWaalsContact O-N 3.16Å; T786-I788 VanDerWaalsContact C-N 3.34Å; T786-I788 PolarHBondContact O-N 3.43Å
787L32.7Very low69.7Low161 Ų16199.5 Ų99.584%0.84354%0.542SS*.  trans-57.699.8162.9-83.8162.7000108.2D785 S789D785-L787 VanDerWaalsContact C-N 3.35Å; D785-L787 PolarHBondContact O-N 3.34Å; L787-S789 PolarHBondContact O-N 3.32Å; L787-S789 VanDerWaalsContact O-N 3.14Å
788I33.4Very low67.8Low163 Ų163107.1 Ų107.184%0.83658%0.583SS**  trans-54116.8166.2-62.3167.1000107.5T786T786-I788 VanDerWaalsContact C-N 3.34Å; T786-I788 PolarHBondContact O-N 3.43Å
789S29.3Very low65.6Low182 Ų182111.6 Ų111.6100%1.27361%0.612SS**  trans-91.40156.3-570000109.2L787L787-S789 PolarHBondContact O-N 3.32Å; L787-S789 VanDerWaalsContact O-N 3.14Å

Retrieved 789 of 789 residues in 444 ms (Link to these results)

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